REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1s4d_1_D DATA FIRST_RESID 7 DATA SEQUENCE AGLPALEKGS VWLVGAGPGD PGLLTLHAAN ALRQADVIVH DALVNEDCLK DATA SEQUENCE LARPGAVLEF AGXXXXXPSP KQRDISLRLV ELARAGNRVL RLKGGDPFVF DATA SEQUENCE GRGGEEALTL VEHQVPFRIV PGITAGIGGL AYAGIPVTHR EVNHAVTFLT DATA SEQUENCE GHDSSGXXXX RINWQGIASG SPVIVMYMAM KHIGAITANL IAGGRSPDEP DATA SEQUENCE VAFVCNAATP QQAVLETTLA RAEADVAAAG LEPPAIVVVG EVVRLRAALD DATA SEQUENCE WIGALDG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 7 A HA 0.000 nan 4.320 nan 0.000 0.244 7 A C 0.000 177.595 177.584 0.019 0.000 1.274 7 A CA 0.000 52.045 52.037 0.013 0.000 0.836 7 A CB 0.000 19.011 19.000 0.019 0.000 0.831 8 G N 1.942 110.757 108.800 0.025 0.000 4.716 8 G HA2 0.517 4.477 3.960 0.000 0.000 0.282 8 G HA3 0.517 4.477 3.960 0.000 0.000 0.282 8 G C -0.110 174.822 174.900 0.054 0.000 1.173 8 G CA -0.137 44.983 45.100 0.033 0.000 0.913 8 G HN 0.568 nan 8.290 nan 0.000 0.566 9 L N 0.880 122.149 121.223 0.077 0.000 2.431 9 L HA 0.480 4.820 4.340 0.000 0.000 0.260 9 L C -1.479 175.498 176.870 0.177 0.000 1.098 9 L CA -2.030 52.892 54.840 0.137 0.000 0.800 9 L CB 0.605 42.764 42.059 0.166 0.000 1.210 9 L HN 0.026 nan 8.230 nan 0.000 0.465 10 P HA 0.098 nan 4.420 nan 0.000 0.266 10 P C -0.890 176.590 177.300 0.300 0.000 1.195 10 P CA -0.289 62.953 63.100 0.238 0.000 0.768 10 P CB 0.524 32.353 31.700 0.214 0.000 0.838 11 A N 3.562 126.499 122.820 0.195 0.000 2.340 11 A HA 0.272 4.592 4.320 0.000 0.000 0.268 11 A C 0.183 177.826 177.584 0.097 0.000 1.100 11 A CA -0.705 51.387 52.037 0.090 0.000 0.803 11 A CB 0.056 19.078 19.000 0.036 0.000 1.043 11 A HN 0.717 nan 8.150 nan 0.000 0.488 12 L N 2.628 123.670 121.223 -0.302 0.000 2.454 12 L HA 0.152 4.492 4.340 0.000 0.000 0.284 12 L C 0.274 177.018 176.870 -0.211 0.000 1.139 12 L CA -0.043 54.437 54.840 -0.601 0.000 0.911 12 L CB -0.218 41.144 42.059 -1.162 0.000 1.262 12 L HN 0.819 nan 8.230 nan 0.000 0.453 13 E N 3.358 123.559 120.200 0.002 0.000 2.390 13 E HA 0.047 4.397 4.350 0.000 0.000 0.261 13 E C -0.292 176.306 176.600 -0.002 0.000 1.076 13 E CA -0.310 56.101 56.400 0.018 0.000 0.905 13 E CB 0.999 30.742 29.700 0.072 0.000 0.984 13 E HN 0.388 nan 8.360 nan 0.000 0.427 14 K N 0.242 120.639 120.400 -0.005 0.000 2.436 14 K HA 0.108 4.428 4.320 0.000 0.000 0.275 14 K C 0.713 177.328 176.600 0.024 0.000 0.999 14 K CA 1.274 57.561 56.287 -0.000 0.000 0.980 14 K CB 0.458 32.957 32.500 -0.001 0.000 0.919 14 K HN 0.723 nan 8.250 nan 0.000 0.484 15 G N 1.265 110.082 108.800 0.027 0.000 2.159 15 G HA2 -0.280 3.680 3.960 0.000 0.000 0.256 15 G HA3 -0.280 3.680 3.960 0.000 0.000 0.256 15 G C -0.108 174.836 174.900 0.073 0.000 0.977 15 G CA 0.488 45.615 45.100 0.044 0.000 0.652 15 G HN 0.776 nan 8.290 nan 0.000 0.531 16 S N -1.541 114.213 115.700 0.090 0.000 2.638 16 S HA 0.848 5.318 4.470 0.000 0.000 0.302 16 S C -0.608 174.105 174.600 0.189 0.000 1.096 16 S CA -0.397 57.898 58.200 0.158 0.000 0.953 16 S CB 3.205 66.526 63.200 0.202 0.000 1.107 16 S HN 1.054 nan 8.310 nan 0.000 0.503 17 V N 1.703 121.786 119.914 0.281 0.000 2.487 17 V HA 0.481 4.601 4.120 0.000 0.000 0.298 17 V C -1.372 175.006 176.094 0.473 0.000 1.028 17 V CA -0.554 61.916 62.300 0.283 0.000 0.860 17 V CB 1.271 33.209 31.823 0.190 0.000 0.991 17 V HN 0.923 nan 8.190 nan 0.000 0.427 18 W N 4.938 126.276 121.300 0.063 0.000 2.391 18 W HA 0.666 5.326 4.660 0.000 0.000 0.311 18 W C -0.611 175.927 176.519 0.032 0.000 1.087 18 W CA -1.308 56.066 57.345 0.049 0.000 1.209 18 W CB 1.214 30.682 29.460 0.013 0.000 1.273 18 W HN 0.298 nan 8.180 nan 0.000 0.482 19 L N 4.599 125.926 121.223 0.173 0.000 2.268 19 L HA 0.346 4.686 4.340 0.000 0.000 0.289 19 L C -0.053 176.832 176.870 0.025 0.000 1.064 19 L CA -0.280 54.599 54.840 0.065 0.000 0.824 19 L CB 0.324 42.369 42.059 -0.024 0.000 1.202 19 L HN 0.018 nan 8.230 nan 0.000 0.433 20 V N 2.393 122.355 119.914 0.079 0.000 2.417 20 V HA 0.569 4.689 4.120 0.000 0.000 0.291 20 V C 0.770 176.890 176.094 0.044 0.000 1.024 20 V CA -0.820 61.528 62.300 0.079 0.000 0.861 20 V CB 1.648 33.570 31.823 0.165 0.000 0.985 20 V HN 0.787 nan 8.190 nan 0.000 0.436 21 G N 2.951 111.759 108.800 0.014 0.000 2.354 21 G HA2 0.424 4.384 3.960 0.000 0.000 0.266 21 G HA3 0.424 4.384 3.960 0.000 0.000 0.266 21 G C 0.771 175.701 174.900 0.049 0.000 1.242 21 G CA 0.331 45.445 45.100 0.022 0.000 0.923 21 G HN 1.063 nan 8.290 nan 0.000 0.476 22 A N 2.152 125.005 122.820 0.054 0.000 2.218 22 A HA 0.588 4.908 4.320 0.000 0.000 0.209 22 A C 1.663 179.271 177.584 0.040 0.000 1.168 22 A CA 1.205 53.271 52.037 0.050 0.000 0.804 22 A CB -0.658 18.371 19.000 0.049 0.000 0.834 22 A HN 2.422 nan 8.150 nan 0.000 0.482 23 G N -0.549 108.279 108.800 0.046 0.000 2.782 23 G HA2 -0.168 3.792 3.960 0.000 0.000 0.228 23 G HA3 -0.168 3.792 3.960 0.000 0.000 0.228 23 G C -1.389 173.525 174.900 0.024 0.000 1.372 23 G CA -0.143 44.980 45.100 0.038 0.000 0.862 23 G HN 0.151 nan 8.290 nan 0.000 0.547 24 P HA 0.155 nan 4.420 nan 0.000 0.222 24 P C 1.356 178.626 177.300 -0.050 0.000 1.153 24 P CA 2.856 65.941 63.100 -0.026 0.000 0.798 24 P CB 0.294 31.947 31.700 -0.077 0.000 0.796 25 G N -0.939 107.815 108.800 -0.076 0.000 4.328 25 G HA2 -0.085 3.875 3.960 0.000 0.000 0.133 25 G HA3 -0.085 3.875 3.960 0.000 0.000 0.133 25 G C -0.756 174.105 174.900 -0.064 0.000 1.397 25 G CA -0.095 44.964 45.100 -0.068 0.000 1.001 25 G HN 0.220 nan 8.290 nan 0.000 0.325 26 D N 4.236 124.574 120.400 -0.104 0.000 2.570 26 D HA 0.236 4.876 4.640 0.000 0.000 0.243 26 D C -1.580 174.718 176.300 -0.004 0.000 1.171 26 D CA -0.788 53.185 54.000 -0.044 0.000 0.879 26 D CB 0.910 41.678 40.800 -0.054 0.000 1.143 26 D HN 0.147 nan 8.370 nan 0.000 0.511 27 P HA 0.177 nan 4.420 nan 0.000 0.270 27 P C 0.939 178.267 177.300 0.048 0.000 1.223 27 P CA 0.330 63.445 63.100 0.024 0.000 0.785 27 P CB 0.873 32.583 31.700 0.018 0.000 0.923 28 G N 0.760 109.590 108.800 0.049 0.000 2.299 28 G HA2 -0.281 3.679 3.960 0.000 0.000 0.237 28 G HA3 -0.281 3.679 3.960 0.000 0.000 0.237 28 G C 0.842 175.791 174.900 0.082 0.000 1.027 28 G CA 0.260 45.400 45.100 0.066 0.000 0.619 28 G HN 0.476 nan 8.290 nan 0.000 0.513 29 L N 1.469 122.742 121.223 0.082 0.000 2.599 29 L HA 0.347 4.687 4.340 0.000 0.000 0.230 29 L C 1.274 178.178 176.870 0.058 0.000 1.141 29 L CA -0.186 54.700 54.840 0.078 0.000 0.877 29 L CB -0.221 41.875 42.059 0.061 0.000 1.009 29 L HN 0.234 nan 8.230 nan 0.000 0.447 30 L N 0.546 121.799 121.223 0.051 0.000 2.485 30 L HA 0.039 4.379 4.340 0.000 0.000 0.275 30 L C 1.166 178.070 176.870 0.057 0.000 1.207 30 L CA -0.087 54.785 54.840 0.054 0.000 0.855 30 L CB 0.197 42.286 42.059 0.050 0.000 1.114 30 L HN 0.189 nan 8.230 nan 0.000 0.485 31 T N -0.340 114.255 114.554 0.068 0.000 2.813 31 T HA 0.202 4.552 4.350 0.000 0.000 0.297 31 T C 1.376 176.110 174.700 0.057 0.000 1.036 31 T CA -0.694 61.443 62.100 0.061 0.000 1.044 31 T CB 0.727 69.647 68.868 0.088 0.000 0.993 31 T HN 0.469 nan 8.240 nan 0.000 0.535 32 L N 0.160 121.384 121.223 0.001 0.000 2.042 32 L HA -0.126 4.214 4.340 0.000 0.000 0.210 32 L C 2.819 179.724 176.870 0.058 0.000 1.076 32 L CA 1.768 56.600 54.840 -0.013 0.000 0.749 32 L CB -0.935 41.070 42.059 -0.089 0.000 0.893 32 L HN 0.846 nan 8.230 nan 0.000 0.432 33 H N -0.497 118.632 119.070 0.098 0.000 2.353 33 H HA -0.188 4.368 4.556 0.000 0.000 0.298 33 H C 2.336 177.800 175.328 0.226 0.000 1.103 33 H CA 1.094 57.249 56.048 0.179 0.000 1.293 33 H CB 0.051 29.887 29.762 0.124 0.000 1.372 33 H HN 0.414 nan 8.280 nan 0.000 0.501 34 A N 0.939 123.926 122.820 0.278 0.000 1.858 34 A HA -0.143 4.177 4.320 0.000 0.000 0.216 34 A C 2.551 180.218 177.584 0.137 0.000 1.190 34 A CA 1.485 53.642 52.037 0.202 0.000 0.617 34 A CB -1.090 17.991 19.000 0.134 0.000 0.827 34 A HN 0.480 nan 8.150 nan 0.000 0.443 35 A N 0.138 123.019 122.820 0.102 0.000 1.883 35 A HA -0.248 4.072 4.320 0.000 0.000 0.217 35 A C 2.027 179.642 177.584 0.052 0.000 1.186 35 A CA 2.218 54.291 52.037 0.060 0.000 0.624 35 A CB -0.808 18.218 19.000 0.045 0.000 0.822 35 A HN 0.565 nan 8.150 nan 0.000 0.444 36 N N 0.376 119.126 118.700 0.083 0.000 2.036 36 N HA -0.164 4.576 4.740 0.000 0.000 0.195 36 N C 1.815 177.318 175.510 -0.011 0.000 1.037 36 N CA 2.202 55.290 53.050 0.063 0.000 0.855 36 N CB -0.531 38.040 38.487 0.139 0.000 1.033 36 N HN 0.394 nan 8.380 nan 0.000 0.423 37 A N 0.698 123.516 122.820 -0.003 0.000 1.883 37 A HA -0.110 4.210 4.320 0.000 0.000 0.217 37 A C 2.085 179.602 177.584 -0.112 0.000 1.186 37 A CA 1.130 53.059 52.037 -0.181 0.000 0.624 37 A CB -0.818 18.128 19.000 -0.090 0.000 0.822 37 A HN 0.313 nan 8.150 nan 0.000 0.444 38 L N -0.613 120.594 121.223 -0.026 0.000 2.089 38 L HA -0.191 4.149 4.340 0.000 0.000 0.213 38 L C 2.543 179.389 176.870 -0.040 0.000 1.079 38 L CA 2.082 56.908 54.840 -0.023 0.000 0.758 38 L CB -1.302 40.757 42.059 -0.000 0.000 0.891 38 L HN 0.377 nan 8.230 nan 0.000 0.433 39 R N -1.420 119.055 120.500 -0.042 0.000 2.153 39 R HA -0.067 4.273 4.340 0.000 0.000 0.218 39 R C 2.205 178.467 176.300 -0.063 0.000 1.072 39 R CA 0.623 56.698 56.100 -0.042 0.000 0.990 39 R CB -0.054 30.229 30.300 -0.028 0.000 0.889 39 R HN 0.402 nan 8.270 nan 0.000 0.452 40 Q N -0.688 119.050 119.800 -0.103 0.000 2.373 40 Q HA 0.307 4.647 4.340 0.000 0.000 0.210 40 Q C -0.126 175.790 176.000 -0.140 0.000 0.913 40 Q CA 0.178 55.901 55.803 -0.134 0.000 0.911 40 Q CB 0.624 29.235 28.738 -0.212 0.000 1.040 40 Q HN 0.272 nan 8.270 nan 0.000 0.521 41 A N 0.847 123.583 122.820 -0.141 0.000 2.483 41 A HA -0.046 4.274 4.320 0.000 0.000 0.238 41 A C 0.169 177.708 177.584 -0.074 0.000 1.070 41 A CA 0.142 52.105 52.037 -0.123 0.000 0.770 41 A CB 0.224 19.168 19.000 -0.093 0.000 1.008 41 A HN 0.247 nan 8.150 nan 0.000 0.497 42 D N -0.167 120.196 120.400 -0.062 0.000 2.216 42 D HA 0.082 4.722 4.640 0.000 0.000 0.208 42 D C 0.150 176.440 176.300 -0.016 0.000 0.960 42 D CA 1.406 55.385 54.000 -0.035 0.000 0.861 42 D CB 0.535 41.316 40.800 -0.031 0.000 0.985 42 D HN 0.308 nan 8.370 nan 0.000 0.493 43 V N 1.304 121.211 119.914 -0.011 0.000 2.612 43 V HA 0.364 4.484 4.120 0.000 0.000 0.301 43 V C -1.428 174.683 176.094 0.028 0.000 1.059 43 V CA -0.702 61.606 62.300 0.013 0.000 0.886 43 V CB 1.768 33.600 31.823 0.016 0.000 1.007 43 V HN -0.127 nan 8.190 nan 0.000 0.426 44 I N 7.195 127.799 120.570 0.056 0.000 2.307 44 I HA 0.405 4.575 4.170 0.000 0.000 0.289 44 I C -0.344 175.870 176.117 0.162 0.000 1.021 44 I CA -0.580 60.775 61.300 0.091 0.000 1.224 44 I CB 1.727 39.770 38.000 0.072 0.000 1.376 44 I HN 0.361 nan 8.210 nan 0.000 0.470 45 V N 6.994 126.986 119.914 0.130 0.000 2.318 45 V HA 0.292 4.412 4.120 0.000 0.000 0.271 45 V C 0.089 176.267 176.094 0.140 0.000 1.030 45 V CA -0.518 61.845 62.300 0.106 0.000 0.844 45 V CB 0.185 32.035 31.823 0.045 0.000 1.015 45 V HN 0.676 nan 8.190 nan 0.000 0.460 46 H N 2.225 121.366 119.070 0.118 0.000 2.771 46 H HA 0.651 5.207 4.556 0.000 0.000 0.367 46 H C -1.287 174.184 175.328 0.239 0.000 1.172 46 H CA -1.159 54.968 56.048 0.131 0.000 1.186 46 H CB 2.121 31.934 29.762 0.085 0.000 1.790 46 H HN 0.466 nan 8.280 nan 0.000 0.556 47 D N 0.091 120.654 120.400 0.271 0.000 2.466 47 D HA 0.262 4.902 4.640 0.000 0.000 0.262 47 D C 0.357 176.850 176.300 0.321 0.000 1.177 47 D CA -0.536 53.661 54.000 0.329 0.000 1.035 47 D CB 0.620 41.557 40.800 0.229 0.000 1.105 47 D HN 0.751 nan 8.370 nan 0.000 0.551 48 A N 0.689 123.712 122.820 0.337 0.000 1.945 48 A HA -0.147 4.173 4.320 0.000 0.000 0.328 48 A C 0.212 177.845 177.584 0.082 0.000 1.266 48 A CA 0.619 52.732 52.037 0.126 0.000 1.431 48 A CB -1.612 17.497 19.000 0.182 0.000 0.719 48 A HN 0.366 nan 8.150 nan 0.000 0.284 49 L N 2.836 124.078 121.223 0.030 0.000 2.265 49 L HA 0.146 4.486 4.340 0.000 0.000 0.288 49 L C 1.561 178.427 176.870 -0.006 0.000 1.058 49 L CA -0.763 54.092 54.840 0.025 0.000 0.809 49 L CB 1.434 43.484 42.059 -0.015 0.000 1.179 49 L HN 0.456 nan 8.230 nan 0.000 0.429 50 V N 2.011 121.930 119.914 0.009 0.000 2.332 50 V HA -0.198 3.922 4.120 0.000 0.000 0.248 50 V C 0.969 177.050 176.094 -0.022 0.000 1.055 50 V CA 1.556 63.854 62.300 -0.004 0.000 1.038 50 V CB -0.646 31.177 31.823 0.001 0.000 0.651 50 V HN 0.883 nan 8.190 nan 0.000 0.450 51 N N -0.643 118.041 118.700 -0.027 0.000 2.292 51 N HA 0.209 4.949 4.740 0.000 0.000 0.303 51 N C 0.188 175.665 175.510 -0.055 0.000 1.140 51 N CA -0.318 52.710 53.050 -0.037 0.000 0.788 51 N CB 2.980 41.448 38.487 -0.032 0.000 1.361 51 N HN 0.139 nan 8.380 nan 0.000 0.489 52 E N 0.331 120.492 120.200 -0.065 0.000 2.447 52 E HA 0.107 4.457 4.350 0.000 0.000 0.204 52 E C 0.166 176.720 176.600 -0.078 0.000 0.977 52 E CA 0.126 56.469 56.400 -0.095 0.000 0.950 52 E CB 0.360 30.000 29.700 -0.100 0.000 0.975 52 E HN 0.539 nan 8.360 nan 0.000 0.496 53 D N 0.202 120.572 120.400 -0.050 0.000 2.265 53 D HA -0.193 4.447 4.640 0.000 0.000 0.208 53 D C 1.980 178.261 176.300 -0.033 0.000 0.977 53 D CA 1.205 55.184 54.000 -0.035 0.000 0.871 53 D CB -0.415 40.374 40.800 -0.018 0.000 0.925 53 D HN 0.433 nan 8.370 nan 0.000 0.485 54 C N -0.097 119.181 119.300 -0.037 0.000 2.446 54 C HA 0.087 4.547 4.460 0.000 0.000 0.279 54 C C 2.713 177.680 174.990 -0.038 0.000 1.366 54 C CA -0.297 58.706 59.018 -0.027 0.000 1.763 54 C CB -1.472 26.257 27.740 -0.018 0.000 1.929 54 C HN 0.213 nan 8.230 nan 0.000 0.509 55 L N 0.855 122.036 121.223 -0.069 0.000 2.265 55 L HA -0.090 4.251 4.340 0.000 0.000 0.215 55 L C 2.595 179.433 176.870 -0.053 0.000 1.117 55 L CA 1.153 55.945 54.840 -0.080 0.000 0.782 55 L CB -0.666 41.308 42.059 -0.141 0.000 0.914 55 L HN 0.314 nan 8.230 nan 0.000 0.441 56 K N 0.177 120.552 120.400 -0.042 0.000 2.442 56 K HA -0.144 4.177 4.320 0.000 0.000 0.200 56 K C 1.719 178.307 176.600 -0.021 0.000 1.045 56 K CA 0.976 57.246 56.287 -0.028 0.000 0.937 56 K CB -0.147 32.340 32.500 -0.022 0.000 0.757 56 K HN 0.255 nan 8.250 nan 0.000 0.474 57 L N 0.264 121.475 121.223 -0.020 0.000 2.446 57 L HA 0.113 4.453 4.340 0.000 0.000 0.219 57 L C 0.911 177.770 176.870 -0.018 0.000 1.116 57 L CA 0.190 55.021 54.840 -0.014 0.000 0.844 57 L CB -0.940 41.114 42.059 -0.008 0.000 0.970 57 L HN -0.086 nan 8.230 nan 0.000 0.457 58 A N 1.132 123.938 122.820 -0.023 0.000 2.565 58 A HA 0.156 4.476 4.320 0.000 0.000 0.237 58 A C 0.685 178.256 177.584 -0.021 0.000 1.053 58 A CA -0.269 51.754 52.037 -0.023 0.000 0.755 58 A CB -0.241 18.746 19.000 -0.022 0.000 0.980 58 A HN 0.477 nan 8.150 nan 0.000 0.506 59 R N 3.244 123.730 120.500 -0.024 0.000 2.811 59 R HA 0.158 4.498 4.340 0.000 0.000 0.265 59 R C -1.722 174.568 176.300 -0.016 0.000 1.026 59 R CA -0.527 55.560 56.100 -0.021 0.000 1.142 59 R CB -0.603 29.682 30.300 -0.025 0.000 1.027 59 R HN 0.479 nan 8.270 nan 0.000 0.465 60 P HA -0.270 nan 4.420 nan 0.000 0.221 60 P C 0.578 177.873 177.300 -0.008 0.000 1.107 60 P CA 2.257 65.351 63.100 -0.010 0.000 0.986 60 P CB -0.306 31.389 31.700 -0.009 0.000 0.774 61 G N -1.377 107.418 108.800 -0.008 0.000 4.160 61 G HA2 0.572 4.532 3.960 0.000 0.000 0.341 61 G HA3 0.572 4.532 3.960 0.000 0.000 0.341 61 G C -0.479 174.418 174.900 -0.005 0.000 1.510 61 G CA 0.238 45.335 45.100 -0.004 0.000 1.011 61 G HN 0.459 nan 8.290 nan 0.000 0.491 62 A N 0.996 123.813 122.820 -0.005 0.000 2.279 62 A HA 0.781 5.101 4.320 0.000 0.000 0.303 62 A C -0.006 177.583 177.584 0.009 0.000 1.108 62 A CA -0.439 51.596 52.037 -0.003 0.000 0.830 62 A CB 1.367 20.361 19.000 -0.009 0.000 1.106 62 A HN 0.606 nan 8.150 nan 0.000 0.493 63 V N 2.160 122.084 119.914 0.016 0.000 2.432 63 V HA 0.223 4.343 4.120 0.000 0.000 0.275 63 V C -0.572 175.554 176.094 0.054 0.000 1.043 63 V CA -0.405 61.913 62.300 0.031 0.000 0.925 63 V CB 0.900 32.740 31.823 0.027 0.000 0.985 63 V HN 0.615 nan 8.190 nan 0.000 0.466 64 L N 5.235 126.503 121.223 0.075 0.000 2.265 64 L HA 0.524 4.864 4.340 0.000 0.000 0.289 64 L C 0.096 177.077 176.870 0.185 0.000 1.033 64 L CA 0.083 55.007 54.840 0.140 0.000 0.814 64 L CB 0.953 43.077 42.059 0.109 0.000 1.203 64 L HN 0.725 nan 8.230 nan 0.000 0.423 65 E N 3.139 123.463 120.200 0.205 0.000 2.218 65 E HA 0.248 4.598 4.350 0.000 0.000 0.263 65 E C -1.478 175.093 176.600 -0.048 0.000 0.879 65 E CA -0.710 55.753 56.400 0.104 0.000 0.762 65 E CB 1.549 31.279 29.700 0.051 0.000 1.166 65 E HN 0.267 nan 8.360 nan 0.000 0.415 66 F N 3.973 123.757 119.950 -0.278 0.000 2.438 66 F HA 0.393 4.920 4.527 0.000 0.000 0.356 66 F C 0.732 176.376 175.800 -0.260 0.000 1.099 66 F CA -0.643 57.068 58.000 -0.482 0.000 1.185 66 F CB 1.016 39.878 39.000 -0.231 0.000 1.115 66 F HN 0.650 nan 8.300 nan 0.000 0.526 67 A N 4.262 126.934 122.820 -0.246 0.000 1.933 67 A HA 0.374 4.694 4.320 0.000 0.000 0.218 67 A C 1.157 178.424 177.584 -0.528 0.000 1.175 67 A CA 1.420 53.276 52.037 -0.303 0.000 0.628 67 A CB -1.023 17.895 19.000 -0.137 0.000 0.814 67 A HN 1.355 nan 8.150 nan 0.000 0.444 75 S N 3.064 118.747 115.700 -0.029 0.000 2.559 75 S HA 0.425 4.895 4.470 0.000 0.000 0.282 75 S C -1.898 172.668 174.600 -0.057 0.000 1.336 75 S CA -0.405 57.767 58.200 -0.048 0.000 1.037 75 S CB -0.194 62.990 63.200 -0.026 0.000 0.853 75 S HN 0.246 nan 8.310 nan 0.000 0.523 76 P HA 0.461 nan 4.420 nan 0.000 0.294 76 P C -0.995 176.270 177.300 -0.057 0.000 1.294 76 P CA -0.838 62.217 63.100 -0.075 0.000 0.827 76 P CB 0.844 32.479 31.700 -0.108 0.000 0.992 77 K N 1.643 122.018 120.400 -0.041 0.000 2.230 77 K HA 0.004 4.324 4.320 0.000 0.000 0.253 77 K C 1.374 177.953 176.600 -0.035 0.000 1.008 77 K CA 0.131 56.400 56.287 -0.030 0.000 0.910 77 K CB 0.406 32.895 32.500 -0.019 0.000 0.994 77 K HN 0.171 nan 8.250 nan 0.000 0.495 78 Q N 1.987 121.771 119.800 -0.027 0.000 2.135 78 Q HA -0.180 4.160 4.340 0.000 0.000 0.204 78 Q C 1.691 177.673 176.000 -0.029 0.000 0.981 78 Q CA 1.746 57.533 55.803 -0.027 0.000 0.856 78 Q CB -0.196 28.531 28.738 -0.019 0.000 0.902 78 Q HN 0.629 nan 8.270 nan 0.000 0.425 79 R N 0.089 120.575 120.500 -0.024 0.000 2.120 79 R HA -0.147 4.193 4.340 0.000 0.000 0.234 79 R C 1.000 177.278 176.300 -0.036 0.000 1.123 79 R CA 1.609 57.696 56.100 -0.022 0.000 0.975 79 R CB -0.177 30.118 30.300 -0.009 0.000 0.866 79 R HN 0.257 nan 8.270 nan 0.000 0.446 80 D N 0.692 121.069 120.400 -0.039 0.000 2.084 80 D HA -0.143 4.497 4.640 0.000 0.000 0.194 80 D C 1.994 178.259 176.300 -0.058 0.000 0.990 80 D CA 1.467 55.437 54.000 -0.049 0.000 0.826 80 D CB -0.256 40.514 40.800 -0.051 0.000 0.971 80 D HN 0.282 nan 8.370 nan 0.000 0.453 81 I N 0.679 121.214 120.570 -0.059 0.000 2.208 81 I HA -0.262 3.908 4.170 0.000 0.000 0.245 81 I C 2.394 178.480 176.117 -0.052 0.000 1.097 81 I CA 0.862 62.127 61.300 -0.058 0.000 1.363 81 I CB -0.202 37.765 38.000 -0.055 0.000 1.051 81 I HN -0.107 nan 8.210 nan 0.000 0.413 82 S N 0.842 116.511 115.700 -0.052 0.000 2.359 82 S HA -0.129 4.341 4.470 0.000 0.000 0.224 82 S C 2.016 176.560 174.600 -0.093 0.000 1.035 82 S CA 1.309 59.473 58.200 -0.060 0.000 1.018 82 S CB -0.416 62.754 63.200 -0.050 0.000 0.876 82 S HN 0.347 nan 8.310 nan 0.000 0.448 83 L N 0.875 122.032 121.223 -0.109 0.000 2.141 83 L HA -0.072 4.268 4.340 0.000 0.000 0.209 83 L C 2.683 179.480 176.870 -0.121 0.000 1.094 83 L CA 0.995 55.738 54.840 -0.162 0.000 0.763 83 L CB -0.360 41.621 42.059 -0.131 0.000 0.908 83 L HN 0.205 nan 8.230 nan 0.000 0.437 84 R N 0.957 121.409 120.500 -0.080 0.000 2.081 84 R HA -0.153 4.187 4.340 0.000 0.000 0.235 84 R C 2.107 178.378 176.300 -0.047 0.000 1.131 84 R CA 1.626 57.691 56.100 -0.058 0.000 0.960 84 R CB -0.739 29.532 30.300 -0.049 0.000 0.856 84 R HN 0.260 nan 8.270 nan 0.000 0.436 85 L N 0.059 121.256 121.223 -0.044 0.000 2.079 85 L HA -0.155 4.185 4.340 0.000 0.000 0.210 85 L C 2.427 179.282 176.870 -0.026 0.000 1.081 85 L CA 1.506 56.333 54.840 -0.022 0.000 0.752 85 L CB -0.773 41.279 42.059 -0.012 0.000 0.896 85 L HN 0.232 nan 8.230 nan 0.000 0.433 86 V N -0.808 119.065 119.914 -0.069 0.000 2.548 86 V HA -0.214 3.906 4.120 0.000 0.000 0.249 86 V C 2.303 178.370 176.094 -0.045 0.000 1.055 86 V CA 2.009 64.269 62.300 -0.067 0.000 1.065 86 V CB -0.311 31.419 31.823 -0.154 0.000 0.681 86 V HN 0.656 nan 8.190 nan 0.000 0.462 87 E N -0.240 119.926 120.200 -0.056 0.000 2.072 87 E HA -0.192 4.158 4.350 0.000 0.000 0.190 87 E C 2.179 178.770 176.600 -0.014 0.000 0.982 87 E CA 1.320 57.700 56.400 -0.033 0.000 0.803 87 E CB -0.234 29.442 29.700 -0.039 0.000 0.755 87 E HN 0.497 nan 8.360 nan 0.000 0.453 88 L N 1.642 122.857 121.223 -0.013 0.000 1.990 88 L HA -0.191 4.149 4.340 0.000 0.000 0.213 88 L C 2.674 179.548 176.870 0.007 0.000 1.072 88 L CA 2.288 57.127 54.840 -0.002 0.000 0.755 88 L CB -1.493 40.567 42.059 0.001 0.000 0.889 88 L HN 0.303 nan 8.230 nan 0.000 0.432 89 A N -1.152 121.676 122.820 0.014 0.000 1.898 89 A HA -0.181 4.139 4.320 0.000 0.000 0.216 89 A C 2.397 179.997 177.584 0.028 0.000 1.181 89 A CA 1.231 53.285 52.037 0.029 0.000 0.620 89 A CB -0.435 18.595 19.000 0.050 0.000 0.819 89 A HN 0.369 nan 8.150 nan 0.000 0.442 90 R N -0.582 119.932 120.500 0.023 0.000 2.193 90 R HA -0.034 4.306 4.340 0.000 0.000 0.229 90 R C 1.948 178.259 176.300 0.018 0.000 1.110 90 R CA 0.920 57.035 56.100 0.025 0.000 0.988 90 R CB -0.282 30.032 30.300 0.023 0.000 0.871 90 R HN 0.502 nan 8.270 nan 0.000 0.458 91 A N -0.255 122.572 122.820 0.012 0.000 2.218 91 A HA 0.231 4.551 4.320 0.000 0.000 0.209 91 A C 1.301 178.890 177.584 0.008 0.000 1.168 91 A CA 0.753 52.795 52.037 0.009 0.000 0.804 91 A CB 0.232 19.235 19.000 0.004 0.000 0.834 91 A HN 0.402 nan 8.150 nan 0.000 0.482 92 G N -0.519 108.287 108.800 0.011 0.000 2.134 92 G HA2 -0.222 3.738 3.960 0.000 0.000 0.209 92 G HA3 -0.222 3.738 3.960 0.000 0.000 0.209 92 G C -0.204 174.697 174.900 0.002 0.000 0.993 92 G CA -0.006 45.099 45.100 0.009 0.000 0.669 92 G HN 0.579 nan 8.290 nan 0.000 0.519 93 N N 0.283 118.983 118.700 0.001 0.000 2.518 93 N HA 0.463 5.203 4.740 0.000 0.000 0.266 93 N C 0.589 176.089 175.510 -0.017 0.000 1.196 93 N CA -0.245 52.800 53.050 -0.009 0.000 0.947 93 N CB 0.373 38.857 38.487 -0.006 0.000 1.098 93 N HN 0.299 nan 8.380 nan 0.000 0.450 94 R N 1.330 121.805 120.500 -0.043 0.000 2.345 94 R HA 0.156 4.496 4.340 0.000 0.000 0.331 94 R C -0.832 175.420 176.300 -0.080 0.000 1.067 94 R CA -0.169 55.880 56.100 -0.085 0.000 0.962 94 R CB 0.047 30.268 30.300 -0.131 0.000 0.987 94 R HN 0.248 nan 8.270 nan 0.000 0.451 95 V N 5.478 125.364 119.914 -0.047 0.000 2.398 95 V HA 0.239 4.359 4.120 0.000 0.000 0.286 95 V C -0.453 175.644 176.094 0.006 0.000 1.026 95 V CA -0.876 61.420 62.300 -0.006 0.000 0.868 95 V CB 1.460 33.304 31.823 0.034 0.000 0.982 95 V HN 0.446 nan 8.190 nan 0.000 0.443 96 L N 5.894 127.124 121.223 0.011 0.000 2.316 96 L HA 0.667 5.007 4.340 0.000 0.000 0.280 96 L C -0.360 176.562 176.870 0.087 0.000 1.006 96 L CA -0.812 54.062 54.840 0.056 0.000 0.836 96 L CB 1.271 43.336 42.059 0.010 0.000 1.221 96 L HN 0.655 nan 8.230 nan 0.000 0.418 97 R N 4.943 125.510 120.500 0.112 0.000 2.205 97 R HA 0.474 4.814 4.340 0.000 0.000 0.342 97 R C -1.380 174.984 176.300 0.107 0.000 1.058 97 R CA -0.179 55.980 56.100 0.098 0.000 0.904 97 R CB 0.197 30.544 30.300 0.077 0.000 1.089 97 R HN 0.834 nan 8.270 nan 0.000 0.471 98 L N 6.063 127.359 121.223 0.120 0.000 2.265 98 L HA 0.371 4.711 4.340 0.000 0.000 0.288 98 L C -0.200 176.740 176.870 0.118 0.000 1.058 98 L CA -0.360 54.551 54.840 0.118 0.000 0.809 98 L CB 0.770 42.908 42.059 0.132 0.000 1.179 98 L HN 0.660 nan 8.230 nan 0.000 0.429 99 K N 3.412 123.866 120.400 0.090 0.000 2.259 99 K HA 0.513 4.833 4.320 0.000 0.000 0.249 99 K C -0.007 176.646 176.600 0.087 0.000 0.942 99 K CA -0.793 55.548 56.287 0.090 0.000 0.816 99 K CB 1.849 34.390 32.500 0.068 0.000 1.155 99 K HN 0.565 nan 8.250 nan 0.000 0.428 100 G N 0.371 109.232 108.800 0.101 0.000 2.491 100 G HA2 0.351 4.311 3.960 0.000 0.000 0.238 100 G HA3 0.351 4.311 3.960 0.000 0.000 0.238 100 G C 0.750 175.713 174.900 0.104 0.000 1.277 100 G CA 0.542 45.700 45.100 0.097 0.000 0.851 100 G HN 0.844 nan 8.290 nan 0.000 0.573 101 G N 1.782 110.640 108.800 0.096 0.000 2.591 101 G HA2 -0.285 3.675 3.960 0.000 0.000 0.298 101 G HA3 -0.285 3.675 3.960 0.000 0.000 0.298 101 G C 0.089 175.040 174.900 0.085 0.000 1.195 101 G CA 0.855 46.024 45.100 0.114 0.000 0.989 101 G HN 1.097 nan 8.290 nan 0.000 0.551 102 D N 0.981 121.434 120.400 0.089 0.000 2.192 102 D HA 0.640 5.280 4.640 0.000 0.000 0.246 102 D C -1.134 175.170 176.300 0.006 0.000 1.042 102 D CA -1.697 52.322 54.000 0.031 0.000 0.847 102 D CB 1.815 42.637 40.800 0.036 0.000 1.186 102 D HN 0.060 nan 8.370 nan 0.000 0.461 103 P HA -0.030 nan 4.420 nan 0.000 0.223 103 P C 0.311 177.639 177.300 0.045 0.000 1.144 103 P CA 1.038 64.075 63.100 -0.104 0.000 0.783 103 P CB 0.110 31.621 31.700 -0.314 0.000 0.771 104 F N -2.388 117.527 119.950 -0.059 0.000 2.682 104 F HA 0.141 4.668 4.527 0.000 0.000 0.308 104 F C 0.456 176.127 175.800 -0.216 0.000 1.093 104 F CA -0.375 57.554 58.000 -0.118 0.000 1.244 104 F CB 0.929 39.863 39.000 -0.111 0.000 1.052 104 F HN -0.416 nan 8.300 nan 0.000 0.573 105 V N 1.371 121.270 119.914 -0.024 0.000 2.219 105 V HA 0.160 4.280 4.120 0.000 0.000 0.267 105 V C -0.568 175.416 176.094 -0.183 0.000 1.266 105 V CA -0.134 62.017 62.300 -0.249 0.000 1.270 105 V CB -1.212 30.538 31.823 -0.121 0.000 1.356 105 V HN 0.457 nan 8.190 nan 0.000 0.490 106 F N 1.115 121.015 119.950 -0.083 0.000 2.666 106 F HA -0.144 4.383 4.527 0.000 0.000 0.292 106 F C 1.360 177.145 175.800 -0.025 0.000 0.785 106 F CA 0.335 58.276 58.000 -0.099 0.000 1.622 106 F CB -1.266 37.609 39.000 -0.209 0.000 1.818 106 F HN 0.459 nan 8.300 nan 0.000 0.426 107 G N -0.402 108.473 108.800 0.124 0.000 3.969 107 G HA2 0.437 4.397 3.960 0.000 0.000 0.291 107 G HA3 0.437 4.397 3.960 0.000 0.000 0.291 107 G C 0.672 175.625 174.900 0.088 0.000 1.016 107 G CA 0.084 45.251 45.100 0.113 0.000 0.819 107 G HN 0.261 nan 8.290 nan 0.000 0.493 108 R N -1.021 119.523 120.500 0.074 0.000 3.989 108 R HA -0.234 4.106 4.340 0.000 0.000 0.335 108 R C 2.013 178.354 176.300 0.068 0.000 1.223 108 R CA 0.963 57.092 56.100 0.049 0.000 0.962 108 R CB -1.428 28.889 30.300 0.028 0.000 1.393 108 R HN 0.464 nan 8.270 nan 0.000 0.554 109 G N -0.898 107.986 108.800 0.141 0.000 2.418 109 G HA2 -0.193 3.767 3.960 0.000 0.000 0.217 109 G HA3 -0.193 3.767 3.960 0.000 0.000 0.217 109 G C 1.491 176.542 174.900 0.251 0.000 1.158 109 G CA 0.870 46.086 45.100 0.194 0.000 0.771 109 G HN 0.485 nan 8.290 nan 0.000 0.545 110 G N 0.374 109.301 108.800 0.212 0.000 2.440 110 G HA2 -0.175 3.785 3.960 0.000 0.000 0.218 110 G HA3 -0.175 3.785 3.960 0.000 0.000 0.218 110 G C 1.560 176.430 174.900 -0.050 0.000 1.154 110 G CA 1.179 46.260 45.100 -0.033 0.000 0.767 110 G HN 0.508 nan 8.290 nan 0.000 0.552 111 E N 0.137 120.318 120.200 -0.032 0.000 2.038 111 E HA -0.134 4.216 4.350 0.000 0.000 0.195 111 E C 2.466 179.038 176.600 -0.046 0.000 1.000 111 E CA 1.249 57.627 56.400 -0.037 0.000 0.803 111 E CB -0.068 29.620 29.700 -0.021 0.000 0.750 111 E HN 0.575 nan 8.360 nan 0.000 0.448 112 E N -0.082 120.096 120.200 -0.037 0.000 2.058 112 E HA -0.233 4.117 4.350 0.000 0.000 0.194 112 E C 2.018 178.532 176.600 -0.143 0.000 0.997 112 E CA 1.007 57.370 56.400 -0.063 0.000 0.801 112 E CB -0.153 29.523 29.700 -0.040 0.000 0.746 112 E HN 0.281 nan 8.360 nan 0.000 0.450 113 A N 1.046 123.732 122.820 -0.224 0.000 1.908 113 A HA -0.201 4.119 4.320 0.000 0.000 0.218 113 A C 2.193 179.542 177.584 -0.392 0.000 1.181 113 A CA 1.217 52.922 52.037 -0.553 0.000 0.627 113 A CB -0.755 17.812 19.000 -0.721 0.000 0.818 113 A HN 0.160 nan 8.150 nan 0.000 0.445 114 L N -0.765 120.344 121.223 -0.190 0.000 2.043 114 L HA -0.216 4.124 4.340 0.000 0.000 0.212 114 L C 2.811 179.660 176.870 -0.037 0.000 1.075 114 L CA 1.927 56.713 54.840 -0.091 0.000 0.752 114 L CB -1.012 41.012 42.059 -0.059 0.000 0.891 114 L HN 0.364 nan 8.230 nan 0.000 0.432 115 T N -0.126 114.414 114.554 -0.023 0.000 2.746 115 T HA -0.136 4.214 4.350 0.000 0.000 0.267 115 T C 1.880 176.648 174.700 0.114 0.000 1.039 115 T CA 0.913 63.055 62.100 0.070 0.000 1.142 115 T CB -0.139 68.747 68.868 0.030 0.000 0.866 115 T HN 0.012 nan 8.240 nan 0.000 0.444 116 L N 1.105 122.318 121.223 -0.017 0.000 1.990 116 L HA -0.083 4.257 4.340 0.000 0.000 0.213 116 L C 2.691 179.628 176.870 0.112 0.000 1.072 116 L CA 1.370 56.223 54.840 0.020 0.000 0.755 116 L CB -1.450 40.547 42.059 -0.103 0.000 0.889 116 L HN 0.152 nan 8.230 nan 0.000 0.432 117 V N -0.407 119.548 119.914 0.068 0.000 2.332 117 V HA -0.313 3.807 4.120 0.000 0.000 0.248 117 V C 2.541 178.682 176.094 0.077 0.000 1.055 117 V CA 1.786 64.162 62.300 0.126 0.000 1.038 117 V CB -0.640 31.254 31.823 0.118 0.000 0.651 117 V HN 0.572 nan 8.190 nan 0.000 0.450 118 E N -0.431 119.798 120.200 0.049 0.000 2.171 118 E HA -0.248 4.102 4.350 0.000 0.000 0.197 118 E C 1.516 177.994 176.600 -0.203 0.000 0.997 118 E CA 1.375 57.735 56.400 -0.067 0.000 0.810 118 E CB -0.063 29.599 29.700 -0.064 0.000 0.738 118 E HN 0.762 nan 8.360 nan 0.000 0.467 119 H N -0.557 118.527 119.070 0.023 0.000 2.486 119 H HA 0.138 4.694 4.556 0.000 0.000 0.284 119 H C -0.126 175.226 175.328 0.040 0.000 1.103 119 H CA 0.037 56.100 56.048 0.026 0.000 1.089 119 H CB 0.670 30.444 29.762 0.019 0.000 1.603 119 H HN 0.141 nan 8.280 nan 0.000 0.557 120 Q N 0.236 120.106 119.800 0.117 0.000 2.457 120 Q HA -0.143 4.198 4.340 0.000 0.000 0.283 120 Q C -0.778 175.297 176.000 0.126 0.000 1.234 120 Q CA 0.295 56.160 55.803 0.103 0.000 0.877 120 Q CB -1.493 27.286 28.738 0.069 0.000 1.250 120 Q HN 0.195 nan 8.270 nan 0.000 0.481 121 V N 1.588 121.599 119.914 0.163 0.000 2.370 121 V HA 0.441 4.561 4.120 0.000 0.000 0.279 121 V C -1.613 174.621 176.094 0.234 0.000 1.029 121 V CA -1.480 60.920 62.300 0.165 0.000 0.870 121 V CB 1.325 33.235 31.823 0.146 0.000 0.984 121 V HN 0.137 nan 8.190 nan 0.000 0.451 122 P HA 0.375 nan 4.420 nan 0.000 0.272 122 P C -0.993 176.462 177.300 0.258 0.000 1.223 122 P CA 0.019 63.209 63.100 0.150 0.000 0.784 122 P CB 0.652 32.390 31.700 0.063 0.000 0.923 123 F N -1.060 118.918 119.950 0.047 0.000 2.668 123 F HA 0.745 5.272 4.527 0.000 0.000 0.309 123 F C -0.967 174.783 175.800 -0.083 0.000 1.117 123 F CA -1.440 56.584 58.000 0.039 0.000 0.951 123 F CB 1.818 40.841 39.000 0.038 0.000 1.323 123 F HN 0.286 nan 8.300 nan 0.000 0.451 124 R N 2.566 123.005 120.500 -0.101 0.000 2.750 124 R HA 0.695 5.035 4.340 0.000 0.000 0.281 124 R C -1.865 174.309 176.300 -0.211 0.000 0.972 124 R CA -0.806 55.022 56.100 -0.454 0.000 0.912 124 R CB 1.762 31.394 30.300 -1.114 0.000 1.187 124 R HN 0.760 nan 8.270 nan 0.000 0.464 125 I N 4.291 124.736 120.570 -0.209 0.000 2.336 125 I HA 0.297 4.467 4.170 0.000 0.000 0.292 125 I C -0.440 175.482 176.117 -0.326 0.000 0.991 125 I CA -0.777 60.382 61.300 -0.236 0.000 1.227 125 I CB 1.667 39.497 38.000 -0.284 0.000 1.366 125 I HN 0.374 nan 8.210 nan 0.000 0.466 126 V N 8.878 128.630 119.914 -0.270 0.000 2.326 126 V HA 0.305 4.425 4.120 0.000 0.000 0.281 126 V C -2.170 173.846 176.094 -0.130 0.000 1.015 126 V CA -1.721 60.461 62.300 -0.197 0.000 0.823 126 V CB 1.642 33.410 31.823 -0.092 0.000 1.009 126 V HN 0.578 nan 8.190 nan 0.000 0.436 127 P HA 0.280 nan 4.420 nan 0.000 0.268 127 P C 0.222 177.510 177.300 -0.020 0.000 1.208 127 P CA 0.418 63.467 63.100 -0.085 0.000 0.777 127 P CB 0.702 32.374 31.700 -0.047 0.000 0.875 128 G N 1.251 110.047 108.800 -0.007 0.000 2.658 128 G HA2 0.559 4.519 3.960 0.000 0.000 0.292 128 G HA3 0.559 4.519 3.960 0.000 0.000 0.292 128 G C -1.152 173.779 174.900 0.051 0.000 1.320 128 G CA -0.598 44.520 45.100 0.030 0.000 0.933 128 G HN 0.322 nan 8.290 nan 0.000 0.476 129 I N 1.276 121.885 120.570 0.065 0.000 2.471 129 I HA 0.203 4.373 4.170 0.000 0.000 0.286 129 I C 1.024 177.207 176.117 0.109 0.000 1.079 129 I CA 0.094 61.446 61.300 0.087 0.000 1.398 129 I CB 0.817 38.867 38.000 0.082 0.000 1.403 129 I HN 0.313 nan 8.210 nan 0.000 0.530 130 T N 4.696 119.343 114.554 0.155 0.000 2.909 130 T HA 0.471 4.821 4.350 0.000 0.000 0.286 130 T C 1.261 176.105 174.700 0.240 0.000 1.002 130 T CA -0.023 62.217 62.100 0.233 0.000 1.074 130 T CB 1.351 70.402 68.868 0.306 0.000 0.984 130 T HN 0.704 nan 8.240 nan 0.000 0.495 131 A N 3.470 126.437 122.820 0.245 0.000 1.908 131 A HA 0.072 4.392 4.320 0.000 0.000 0.218 131 A C 2.333 179.934 177.584 0.028 0.000 1.181 131 A CA 2.082 54.173 52.037 0.091 0.000 0.627 131 A CB -1.325 17.688 19.000 0.022 0.000 0.818 131 A HN 0.989 nan 8.150 nan 0.000 0.445 132 G N -1.061 107.792 108.800 0.088 0.000 2.498 132 G HA2 0.034 3.994 3.960 0.000 0.000 0.219 132 G HA3 0.034 3.994 3.960 0.000 0.000 0.219 132 G C 1.286 176.285 174.900 0.166 0.000 1.119 132 G CA 1.185 46.284 45.100 -0.002 0.000 0.766 132 G HN 0.519 nan 8.290 nan 0.000 0.552 133 I N -0.785 119.957 120.570 0.287 0.000 3.534 133 I HA 0.211 4.381 4.170 0.000 0.000 0.251 133 I C 2.860 179.098 176.117 0.203 0.000 1.136 133 I CA 0.615 62.072 61.300 0.262 0.000 1.475 133 I CB -0.350 37.830 38.000 0.300 0.000 1.526 133 I HN 0.054 nan 8.210 nan 0.000 0.454 134 G N 0.792 109.711 108.800 0.198 0.000 2.402 134 G HA2 -0.139 3.821 3.960 0.000 0.000 0.216 134 G HA3 -0.139 3.821 3.960 0.000 0.000 0.216 134 G C 1.646 176.677 174.900 0.219 0.000 1.162 134 G CA 0.919 46.151 45.100 0.221 0.000 0.777 134 G HN 0.471 nan 8.290 nan 0.000 0.539 135 G N 1.302 110.165 108.800 0.105 0.000 2.586 135 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 135 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 135 G C 1.790 176.758 174.900 0.113 0.000 1.216 135 G CA 0.951 46.082 45.100 0.051 0.000 0.786 135 G HN 0.402 nan 8.290 nan 0.000 0.583 136 L N 0.791 122.065 121.223 0.084 0.000 2.081 136 L HA -0.153 4.187 4.340 0.000 0.000 0.212 136 L C 3.429 180.394 176.870 0.158 0.000 1.080 136 L CA 1.054 55.942 54.840 0.079 0.000 0.754 136 L CB -0.530 41.548 42.059 0.032 0.000 0.893 136 L HN 0.354 nan 8.230 nan 0.000 0.433 137 A N -0.842 122.121 122.820 0.239 0.000 1.972 137 A HA -0.238 4.082 4.320 0.000 0.000 0.219 137 A C 1.935 179.777 177.584 0.430 0.000 1.169 137 A CA 1.397 53.626 52.037 0.320 0.000 0.635 137 A CB -0.731 18.472 19.000 0.337 0.000 0.810 137 A HN 0.393 nan 8.150 nan 0.000 0.446 138 Y N -0.795 119.614 120.300 0.182 0.000 2.583 138 Y HA 0.201 4.751 4.550 0.000 0.000 0.293 138 Y C 2.303 178.104 175.900 -0.165 0.000 1.157 138 Y CA 0.365 58.481 58.100 0.027 0.000 1.315 138 Y CB -0.040 38.420 38.460 -0.001 0.000 1.021 138 Y HN 0.333 nan 8.280 nan 0.000 0.536 139 A N -1.376 121.488 122.820 0.073 0.000 2.348 139 A HA 0.494 4.814 4.320 0.000 0.000 0.224 139 A C 1.879 179.459 177.584 -0.006 0.000 1.227 139 A CA 0.579 52.609 52.037 -0.011 0.000 0.885 139 A CB -0.575 18.435 19.000 0.016 0.000 0.933 139 A HN 0.452 nan 8.150 nan 0.000 0.506 140 G N -0.462 108.376 108.800 0.062 0.000 2.157 140 G HA2 -0.207 3.753 3.960 0.000 0.000 0.248 140 G HA3 -0.207 3.753 3.960 0.000 0.000 0.248 140 G C 0.015 174.972 174.900 0.096 0.000 0.979 140 G CA 0.313 45.484 45.100 0.119 0.000 0.650 140 G HN 0.541 nan 8.290 nan 0.000 0.529 141 I N 2.449 123.071 120.570 0.086 0.000 2.354 141 I HA 0.322 4.492 4.170 0.000 0.000 0.286 141 I C -2.047 174.117 176.117 0.078 0.000 1.007 141 I CA -2.379 58.955 61.300 0.056 0.000 1.167 141 I CB 1.825 39.840 38.000 0.024 0.000 1.320 141 I HN -0.114 nan 8.210 nan 0.000 0.458 142 P HA 0.052 nan 4.420 nan 0.000 0.279 142 P C 0.936 178.290 177.300 0.089 0.000 1.239 142 P CA -0.289 62.868 63.100 0.095 0.000 0.789 142 P CB 1.737 33.498 31.700 0.102 0.000 0.933 143 V N 0.340 120.321 119.914 0.111 0.000 2.809 143 V HA 0.019 4.139 4.120 0.000 0.000 0.256 143 V C 0.888 177.055 176.094 0.121 0.000 1.080 143 V CA 1.685 64.054 62.300 0.116 0.000 1.102 143 V CB -1.625 30.316 31.823 0.198 0.000 0.705 143 V HN 0.717 nan 8.190 nan 0.000 0.475 144 T N -1.203 113.420 114.554 0.115 0.000 2.907 144 T HA 0.692 5.042 4.350 0.000 0.000 0.292 144 T C -1.036 173.743 174.700 0.131 0.000 1.043 144 T CA -0.425 61.731 62.100 0.093 0.000 1.003 144 T CB 2.285 71.180 68.868 0.045 0.000 1.084 144 T HN 0.623 nan 8.240 nan 0.000 0.483 145 H N 0.483 119.540 119.070 -0.021 0.000 3.163 145 H HA 0.349 4.905 4.556 0.000 0.000 0.322 145 H C 0.977 176.273 175.328 -0.054 0.000 1.047 145 H CA -0.668 55.364 56.048 -0.026 0.000 1.418 145 H CB 1.429 31.192 29.762 0.003 0.000 2.016 145 H HN 0.735 nan 8.280 nan 0.000 0.454 146 R N 3.204 123.462 120.500 -0.404 0.000 2.280 146 R HA -0.020 4.320 4.340 0.000 0.000 0.207 146 R C 0.192 176.466 176.300 -0.043 0.000 1.043 146 R CA 1.354 57.275 56.100 -0.299 0.000 1.006 146 R CB 0.122 30.237 30.300 -0.309 0.000 0.885 146 R HN 0.641 nan 8.270 nan 0.000 0.467 147 E N 0.706 120.898 120.200 -0.013 0.000 2.371 147 E HA -0.009 4.341 4.350 0.000 0.000 0.194 147 E C 1.425 178.140 176.600 0.192 0.000 1.012 147 E CA 0.514 57.003 56.400 0.148 0.000 0.860 147 E CB 0.495 30.318 29.700 0.206 0.000 0.811 147 E HN 0.209 nan 8.360 nan 0.000 0.502 148 V N 1.231 121.278 119.914 0.221 0.000 2.599 148 V HA 0.010 4.130 4.120 0.000 0.000 0.237 148 V C 0.373 176.557 176.094 0.151 0.000 1.081 148 V CA 0.625 63.024 62.300 0.166 0.000 1.107 148 V CB 0.125 32.039 31.823 0.152 0.000 0.808 148 V HN 0.267 nan 8.190 nan 0.000 0.486 149 N N -1.032 117.753 118.700 0.141 0.000 2.331 149 N HA 0.268 5.008 4.740 0.000 0.000 0.280 149 N C -0.687 174.892 175.510 0.115 0.000 1.155 149 N CA -0.491 52.654 53.050 0.158 0.000 0.822 149 N CB 1.453 40.008 38.487 0.114 0.000 1.619 149 N HN 0.131 nan 8.380 nan 0.000 0.476 150 H N -0.680 118.418 119.070 0.047 0.000 2.755 150 H HA 0.657 5.213 4.556 0.000 0.000 0.273 150 H C -0.317 175.040 175.328 0.047 0.000 1.055 150 H CA 0.192 56.263 56.048 0.038 0.000 1.191 150 H CB 0.737 30.514 29.762 0.025 0.000 1.536 150 H HN 0.828 nan 8.280 nan 0.000 0.529 151 A N 0.403 123.311 122.820 0.147 0.000 2.539 151 A HA 0.683 5.003 4.320 0.000 0.000 0.296 151 A C -1.288 176.374 177.584 0.130 0.000 1.073 151 A CA -0.674 51.435 52.037 0.121 0.000 0.700 151 A CB 1.403 20.469 19.000 0.110 0.000 1.296 151 A HN 0.019 nan 8.150 nan 0.000 0.405 152 V N 0.022 120.034 119.914 0.163 0.000 2.656 152 V HA 0.732 4.852 4.120 0.000 0.000 0.307 152 V C -0.148 176.119 176.094 0.290 0.000 1.051 152 V CA -0.578 61.858 62.300 0.226 0.000 0.893 152 V CB 1.651 33.691 31.823 0.362 0.000 0.999 152 V HN 0.827 nan 8.190 nan 0.000 0.426 153 T N 4.763 119.469 114.554 0.255 0.000 2.758 153 T HA 0.653 5.003 4.350 0.000 0.000 0.285 153 T C -0.712 174.206 174.700 0.364 0.000 0.981 153 T CA -0.005 62.267 62.100 0.286 0.000 0.965 153 T CB 0.420 69.385 68.868 0.162 0.000 0.927 153 T HN 0.356 nan 8.240 nan 0.000 0.448 154 F N 4.564 124.612 119.950 0.163 0.000 2.394 154 F HA 0.648 5.175 4.527 0.000 0.000 0.340 154 F C 0.392 176.367 175.800 0.292 0.000 1.105 154 F CA -1.435 56.731 58.000 0.276 0.000 1.124 154 F CB 0.936 40.123 39.000 0.311 0.000 1.145 154 F HN 0.313 nan 8.300 nan 0.000 0.505 155 L N 0.562 122.032 121.223 0.412 0.000 2.491 155 L HA 0.741 5.081 4.340 0.000 0.000 0.254 155 L C -1.251 175.581 176.870 -0.063 0.000 1.048 155 L CA -0.664 54.308 54.840 0.220 0.000 0.855 155 L CB 2.100 44.218 42.059 0.099 0.000 1.466 155 L HN 0.503 nan 8.230 nan 0.000 0.409 156 T N -0.284 114.060 114.554 -0.351 0.000 2.779 156 T HA 0.551 4.901 4.350 0.000 0.000 0.280 156 T C 0.823 175.494 174.700 -0.049 0.000 0.987 156 T CA 0.289 62.135 62.100 -0.424 0.000 0.966 156 T CB 1.132 69.472 68.868 -0.881 0.000 0.933 156 T HN 0.925 nan 8.240 nan 0.000 0.442 157 G N 2.198 111.042 108.800 0.072 0.000 2.920 157 G HA2 -0.030 3.930 3.960 0.000 0.000 0.208 157 G HA3 -0.030 3.930 3.960 0.000 0.000 0.208 157 G C 1.209 176.247 174.900 0.231 0.000 1.159 157 G CA 0.023 45.236 45.100 0.188 0.000 0.784 157 G HN 0.927 nan 8.290 nan 0.000 0.535 158 H N 1.689 120.817 119.070 0.097 0.000 2.321 158 H HA -0.107 4.449 4.556 0.000 0.000 0.295 158 H C 0.428 175.852 175.328 0.160 0.000 1.102 158 H CA 1.713 57.848 56.048 0.145 0.000 1.266 158 H CB 0.301 30.098 29.762 0.058 0.000 1.363 158 H HN 0.311 nan 8.280 nan 0.000 0.492 159 D N 0.134 120.637 120.400 0.172 0.000 2.894 159 D HA 0.097 4.737 4.640 0.000 0.000 0.248 159 D C -0.204 176.050 176.300 -0.077 0.000 1.291 159 D CA 0.027 54.051 54.000 0.041 0.000 0.840 159 D CB 0.426 41.281 40.800 0.091 0.000 1.044 159 D HN 0.002 nan 8.370 nan 0.000 0.484 160 S N 0.135 115.704 115.700 -0.218 0.000 2.256 160 S HA 0.099 4.569 4.470 0.000 0.000 0.210 160 S C 1.393 175.734 174.600 -0.431 0.000 1.329 160 S CA -0.491 57.623 58.200 -0.144 0.000 1.267 160 S CB 0.658 63.959 63.200 0.170 0.000 1.086 160 S HN 0.343 nan 8.310 nan 0.000 0.468 161 S N 1.525 116.851 115.700 -0.624 0.000 2.288 161 S HA 0.726 5.196 4.470 0.000 0.000 0.191 161 S C 1.019 175.541 174.600 -0.130 0.000 1.028 161 S CA 0.508 58.478 58.200 -0.383 0.000 1.030 161 S CB -0.364 62.669 63.200 -0.278 0.000 0.932 161 S HN 0.889 nan 8.310 nan 0.000 0.463 168 I N 1.795 122.258 120.570 -0.178 0.000 2.696 168 I HA 0.044 4.214 4.170 0.000 0.000 0.284 168 I C 0.065 175.948 176.117 -0.390 0.000 1.129 168 I CA 0.361 61.419 61.300 -0.403 0.000 1.410 168 I CB 0.827 38.343 38.000 -0.808 0.000 1.399 168 I HN 0.207 nan 8.210 nan 0.000 0.579 169 N N 4.127 122.615 118.700 -0.353 0.000 2.609 169 N HA 0.155 4.895 4.740 0.000 0.000 0.234 169 N C 0.271 175.670 175.510 -0.184 0.000 1.001 169 N CA -0.537 52.405 53.050 -0.180 0.000 0.926 169 N CB 0.530 38.962 38.487 -0.092 0.000 1.130 169 N HN 0.538 nan 8.380 nan 0.000 0.510 170 W N 1.397 122.707 121.300 0.017 0.000 2.388 170 W HA -0.084 4.576 4.660 0.000 0.000 0.294 170 W C 2.369 178.898 176.519 0.018 0.000 1.212 170 W CA -0.071 57.284 57.345 0.017 0.000 1.271 170 W CB 0.080 29.547 29.460 0.012 0.000 1.126 170 W HN 0.559 nan 8.180 nan 0.000 0.535 171 Q N 0.404 120.334 119.800 0.217 0.000 2.029 171 Q HA -0.171 4.169 4.340 0.000 0.000 0.209 171 Q C 2.393 178.448 176.000 0.093 0.000 0.999 171 Q CA 2.291 58.171 55.803 0.128 0.000 0.857 171 Q CB -1.428 27.361 28.738 0.086 0.000 0.926 171 Q HN 0.350 nan 8.270 nan 0.000 0.415 172 G N 0.252 109.084 108.800 0.053 0.000 2.459 172 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 172 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 172 G C 1.528 176.447 174.900 0.031 0.000 1.183 172 G CA 1.022 46.136 45.100 0.024 0.000 0.776 172 G HN 0.363 nan 8.290 nan 0.000 0.552 173 I N 1.951 122.530 120.570 0.015 0.000 2.163 173 I HA -0.163 4.007 4.170 0.000 0.000 0.243 173 I C 3.223 179.407 176.117 0.113 0.000 1.085 173 I CA 1.364 62.688 61.300 0.041 0.000 1.347 173 I CB -0.448 37.543 38.000 -0.015 0.000 1.044 173 I HN 0.235 nan 8.210 nan 0.000 0.408 174 A N -0.767 122.147 122.820 0.156 0.000 1.908 174 A HA -0.118 4.202 4.320 0.000 0.000 0.218 174 A C 1.656 179.295 177.584 0.091 0.000 1.181 174 A CA 1.473 53.592 52.037 0.137 0.000 0.627 174 A CB -0.847 18.237 19.000 0.139 0.000 0.818 174 A HN 0.403 nan 8.150 nan 0.000 0.445 175 S N -0.133 115.612 115.700 0.075 0.000 2.545 175 S HA 0.462 4.932 4.470 0.000 0.000 0.275 175 S C 0.751 175.384 174.600 0.055 0.000 1.299 175 S CA -0.200 58.034 58.200 0.057 0.000 1.048 175 S CB 1.024 64.253 63.200 0.047 0.000 0.938 175 S HN 0.978 nan 8.310 nan 0.000 0.496 176 G N 3.306 112.138 108.800 0.052 0.000 2.939 176 G HA2 -0.097 3.863 3.960 0.000 0.000 0.321 176 G HA3 -0.097 3.863 3.960 0.000 0.000 0.321 176 G C -0.092 174.847 174.900 0.065 0.000 0.238 176 G CA -0.087 45.048 45.100 0.058 0.000 1.216 176 G HN 0.634 nan 8.290 nan 0.000 0.236 177 S N 4.832 120.579 115.700 0.078 0.000 2.554 177 S HA 0.437 4.907 4.470 0.000 0.000 0.278 177 S C -1.332 173.317 174.600 0.081 0.000 1.242 177 S CA -1.168 57.085 58.200 0.088 0.000 1.051 177 S CB 2.136 65.399 63.200 0.105 0.000 0.986 177 S HN 0.453 nan 8.310 nan 0.000 0.502 178 P HA 0.074 nan 4.420 nan 0.000 0.233 178 P C -0.405 176.932 177.300 0.062 0.000 1.167 178 P CA 0.532 63.675 63.100 0.071 0.000 0.770 178 P CB 0.132 31.879 31.700 0.078 0.000 0.837 179 V N 0.891 120.846 119.914 0.069 0.000 2.487 179 V HA 0.356 4.476 4.120 0.000 0.000 0.298 179 V C -0.054 176.066 176.094 0.044 0.000 1.028 179 V CA -0.621 61.708 62.300 0.048 0.000 0.860 179 V CB 2.198 34.053 31.823 0.053 0.000 0.991 179 V HN -0.165 nan 8.190 nan 0.000 0.427 180 I N 4.678 125.254 120.570 0.010 0.000 2.466 180 I HA 0.548 4.718 4.170 0.000 0.000 0.289 180 I C -0.856 175.212 176.117 -0.081 0.000 1.026 180 I CA -0.799 60.506 61.300 0.008 0.000 1.078 180 I CB 2.305 40.339 38.000 0.057 0.000 1.249 180 I HN 0.266 nan 8.210 nan 0.000 0.429 181 V N 7.102 126.919 119.914 -0.162 0.000 2.407 181 V HA 0.484 4.604 4.120 0.000 0.000 0.291 181 V C -0.171 175.813 176.094 -0.184 0.000 1.018 181 V CA -0.428 61.681 62.300 -0.318 0.000 0.842 181 V CB 1.632 33.006 31.823 -0.749 0.000 0.996 181 V HN 0.623 nan 8.190 nan 0.000 0.426 182 M N 5.465 124.972 119.600 -0.154 0.000 2.181 182 M HA 0.562 5.042 4.480 0.000 0.000 0.323 182 M C -1.383 174.879 176.300 -0.062 0.000 1.004 182 M CA -0.539 54.752 55.300 -0.015 0.000 0.941 182 M CB 1.829 34.432 32.600 0.005 0.000 1.579 182 M HN 0.450 nan 8.290 nan 0.000 0.427 183 Y N 1.937 122.202 120.300 -0.058 0.000 2.335 183 Y HA 0.399 4.949 4.550 0.000 0.000 0.323 183 Y C 1.007 176.878 175.900 -0.049 0.000 1.224 183 Y CA -0.567 57.508 58.100 -0.041 0.000 1.241 183 Y CB 0.940 39.369 38.460 -0.051 0.000 1.235 183 Y HN 0.731 nan 8.280 nan 0.000 0.492 184 M N 0.399 120.093 119.600 0.156 0.000 2.210 184 M HA -0.317 4.163 4.480 0.000 0.000 0.198 184 M C 0.406 176.774 176.300 0.114 0.000 0.319 184 M CA 0.944 56.328 55.300 0.141 0.000 0.399 184 M CB -1.232 31.489 32.600 0.203 0.000 1.227 184 M HN 0.731 nan 8.290 nan 0.000 0.931 185 A N -1.092 121.782 122.820 0.090 0.000 2.348 185 A HA 0.205 4.525 4.320 0.000 0.000 0.224 185 A C 1.785 179.425 177.584 0.094 0.000 1.227 185 A CA -0.031 52.064 52.037 0.098 0.000 0.885 185 A CB 0.107 19.150 19.000 0.071 0.000 0.933 185 A HN 0.519 nan 8.150 nan 0.000 0.506 186 M N -0.005 119.642 119.600 0.079 0.000 2.084 186 M HA -0.140 4.340 4.480 0.000 0.000 0.259 186 M C 2.085 178.370 176.300 -0.024 0.000 1.072 186 M CA 1.551 56.892 55.300 0.069 0.000 1.107 186 M CB -0.957 31.669 32.600 0.043 0.000 1.299 186 M HN 0.236 nan 8.290 nan 0.000 0.413 187 K N 0.188 120.504 120.400 -0.141 0.000 2.052 187 K HA -0.187 4.134 4.320 0.000 0.000 0.215 187 K C 1.462 177.888 176.600 -0.290 0.000 1.053 187 K CA 1.611 57.708 56.287 -0.316 0.000 0.934 187 K CB -0.614 31.516 32.500 -0.618 0.000 0.717 187 K HN 0.479 nan 8.250 nan 0.000 0.450 188 H N -0.858 118.206 119.070 -0.011 0.000 2.488 188 H HA 0.090 4.646 4.556 0.000 0.000 0.294 188 H C 1.318 176.637 175.328 -0.014 0.000 1.088 188 H CA -0.258 55.780 56.048 -0.016 0.000 1.086 188 H CB 0.066 29.820 29.762 -0.013 0.000 1.569 188 H HN 0.067 nan 8.280 nan 0.000 0.548 189 I N 1.011 121.632 120.570 0.085 0.000 2.286 189 I HA -0.110 4.060 4.170 0.000 0.000 0.248 189 I C 2.364 178.500 176.117 0.031 0.000 1.115 189 I CA 1.188 62.536 61.300 0.080 0.000 1.392 189 I CB -0.479 37.611 38.000 0.150 0.000 1.065 189 I HN 0.287 nan 8.210 nan 0.000 0.418 190 G N -0.102 108.709 108.800 0.019 0.000 2.433 190 G HA2 -0.259 3.701 3.960 0.000 0.000 0.216 190 G HA3 -0.259 3.701 3.960 0.000 0.000 0.216 190 G C 1.738 176.607 174.900 -0.053 0.000 1.186 190 G CA 0.823 45.916 45.100 -0.011 0.000 0.779 190 G HN 0.583 nan 8.290 nan 0.000 0.543 191 A N 0.446 123.236 122.820 -0.049 0.000 1.930 191 A HA 0.128 4.448 4.320 0.000 0.000 0.217 191 A C 2.404 179.836 177.584 -0.253 0.000 1.175 191 A CA 1.191 53.158 52.037 -0.117 0.000 0.627 191 A CB -0.299 18.653 19.000 -0.080 0.000 0.815 191 A HN 0.374 nan 8.150 nan 0.000 0.443 192 I N 0.365 120.798 120.570 -0.228 0.000 2.252 192 I HA -0.229 3.941 4.170 0.000 0.000 0.245 192 I C 2.866 178.730 176.117 -0.422 0.000 1.102 192 I CA 1.835 62.878 61.300 -0.428 0.000 1.385 192 I CB -0.490 37.401 38.000 -0.182 0.000 1.064 192 I HN 0.525 nan 8.210 nan 0.000 0.414 193 T N -0.795 113.634 114.554 -0.208 0.000 2.777 193 T HA -0.065 4.285 4.350 0.000 0.000 0.266 193 T C 2.057 176.655 174.700 -0.169 0.000 1.040 193 T CA 0.867 62.877 62.100 -0.151 0.000 1.141 193 T CB -0.606 68.228 68.868 -0.056 0.000 0.868 193 T HN 0.313 nan 8.240 nan 0.000 0.444 194 A N 2.857 125.574 122.820 -0.171 0.000 1.892 194 A HA -0.223 4.097 4.320 0.000 0.000 0.218 194 A C 2.265 179.724 177.584 -0.208 0.000 1.188 194 A CA 2.125 54.069 52.037 -0.154 0.000 0.631 194 A CB -1.316 17.606 19.000 -0.129 0.000 0.822 194 A HN 0.738 nan 8.150 nan 0.000 0.447 195 N N -0.060 118.413 118.700 -0.378 0.000 2.043 195 N HA -0.148 4.592 4.740 0.000 0.000 0.193 195 N C 1.680 177.033 175.510 -0.260 0.000 1.037 195 N CA 1.536 54.307 53.050 -0.465 0.000 0.851 195 N CB -0.402 37.364 38.487 -1.201 0.000 1.027 195 N HN 0.439 nan 8.380 nan 0.000 0.422 196 L N 1.050 122.106 121.223 -0.279 0.000 2.013 196 L HA -0.219 4.121 4.340 0.000 0.000 0.212 196 L C 2.244 179.101 176.870 -0.023 0.000 1.073 196 L CA 1.188 55.996 54.840 -0.053 0.000 0.753 196 L CB -0.533 41.503 42.059 -0.039 0.000 0.890 196 L HN 0.268 nan 8.230 nan 0.000 0.432 197 I N -0.289 120.246 120.570 -0.058 0.000 2.226 197 I HA -0.260 3.910 4.170 0.000 0.000 0.245 197 I C 2.664 178.770 176.117 -0.018 0.000 1.100 197 I CA 1.151 62.432 61.300 -0.031 0.000 1.374 197 I CB -0.446 37.530 38.000 -0.040 0.000 1.057 197 I HN 0.210 nan 8.210 nan 0.000 0.413 198 A N 0.577 123.378 122.820 -0.032 0.000 2.119 198 A HA 0.001 4.321 4.320 0.000 0.000 0.217 198 A C 2.208 179.806 177.584 0.023 0.000 1.153 198 A CA 1.418 53.449 52.037 -0.010 0.000 0.692 198 A CB -0.895 18.091 19.000 -0.023 0.000 0.799 198 A HN 0.474 nan 8.150 nan 0.000 0.458 199 G N -2.223 106.602 108.800 0.041 0.000 3.042 199 G HA2 0.380 4.340 3.960 0.000 0.000 0.212 199 G HA3 0.380 4.340 3.960 0.000 0.000 0.212 199 G C 0.994 175.931 174.900 0.062 0.000 1.166 199 G CA 0.542 45.690 45.100 0.080 0.000 0.767 199 G HN 1.515 nan 8.290 nan 0.000 0.546 200 G N -0.616 108.209 108.800 0.041 0.000 2.255 200 G HA2 -0.197 3.763 3.960 0.000 0.000 0.196 200 G HA3 -0.197 3.763 3.960 0.000 0.000 0.196 200 G C 0.534 175.453 174.900 0.030 0.000 0.998 200 G CA -0.600 44.521 45.100 0.035 0.000 0.656 200 G HN 0.342 nan 8.290 nan 0.000 0.490 201 R N 1.310 121.829 120.500 0.031 0.000 2.543 201 R HA 0.443 4.783 4.340 0.000 0.000 0.277 201 R C 0.589 176.898 176.300 0.015 0.000 1.074 201 R CA 0.230 56.346 56.100 0.026 0.000 1.076 201 R CB 1.104 31.421 30.300 0.028 0.000 0.993 201 R HN 0.306 nan 8.270 nan 0.000 0.459 202 S N 3.091 118.800 115.700 0.014 0.000 2.531 202 S HA 0.109 4.579 4.470 0.000 0.000 0.279 202 S C -1.369 173.234 174.600 0.005 0.000 1.305 202 S CA -1.364 56.842 58.200 0.010 0.000 1.058 202 S CB 0.662 63.868 63.200 0.011 0.000 0.899 202 S HN 0.286 nan 8.310 nan 0.000 0.493 203 P HA -0.106 nan 4.420 nan 0.000 0.217 203 P C 0.173 177.476 177.300 0.004 0.000 1.148 203 P CA 1.225 64.325 63.100 -0.000 0.000 0.834 203 P CB 0.071 31.771 31.700 -0.001 0.000 0.783 204 D N -1.384 119.019 120.400 0.006 0.000 2.342 204 D HA 0.021 4.661 4.640 0.000 0.000 0.221 204 D C 0.460 176.765 176.300 0.008 0.000 1.101 204 D CA 0.100 54.104 54.000 0.008 0.000 0.837 204 D CB -0.326 40.478 40.800 0.007 0.000 0.938 204 D HN 0.315 nan 8.370 nan 0.000 0.508 205 E N 1.889 122.093 120.200 0.007 0.000 2.344 205 E HA 0.118 4.468 4.350 0.000 0.000 0.270 205 E C -2.380 174.222 176.600 0.004 0.000 1.021 205 E CA -1.961 54.443 56.400 0.007 0.000 0.887 205 E CB 0.933 30.638 29.700 0.007 0.000 0.997 205 E HN -0.140 nan 8.360 nan 0.000 0.429 206 P HA -0.089 nan 4.420 nan 0.000 0.265 206 P C -1.146 176.145 177.300 -0.015 0.000 1.187 206 P CA 0.160 63.260 63.100 -0.000 0.000 0.766 206 P CB 0.693 32.392 31.700 -0.002 0.000 0.820 207 V N 0.414 120.318 119.914 -0.017 0.000 3.087 207 V HA 0.909 5.029 4.120 0.000 0.000 0.306 207 V C -1.726 174.333 176.094 -0.058 0.000 1.187 207 V CA -1.095 61.163 62.300 -0.071 0.000 0.999 207 V CB 2.091 33.847 31.823 -0.113 0.000 1.049 207 V HN 0.613 nan 8.190 nan 0.000 0.431 208 A N 4.044 126.779 122.820 -0.142 0.000 2.393 208 A HA 0.924 5.244 4.320 0.000 0.000 0.306 208 A C -1.279 176.185 177.584 -0.201 0.000 1.050 208 A CA -0.525 51.473 52.037 -0.064 0.000 0.724 208 A CB 1.359 20.339 19.000 -0.033 0.000 1.248 208 A HN 0.971 nan 8.150 nan 0.000 0.424 209 F N 1.426 121.354 119.950 -0.036 0.000 2.420 209 F HA 0.531 5.058 4.527 0.000 0.000 0.342 209 F C 0.101 175.876 175.800 -0.042 0.000 1.113 209 F CA -0.529 57.446 58.000 -0.042 0.000 1.059 209 F CB 2.188 41.166 39.000 -0.037 0.000 1.128 209 F HN 0.236 nan 8.300 nan 0.000 0.475 210 V N 3.265 123.231 119.914 0.087 0.000 2.349 210 V HA 0.270 4.390 4.120 0.000 0.000 0.284 210 V C -0.603 175.512 176.094 0.036 0.000 1.014 210 V CA -0.869 61.457 62.300 0.042 0.000 0.826 210 V CB 0.981 32.802 31.823 -0.003 0.000 1.009 210 V HN 0.857 nan 8.190 nan 0.000 0.431 211 C N 3.652 122.976 119.300 0.041 0.000 2.350 211 C HA 0.399 4.859 4.460 0.000 0.000 0.348 211 C C 1.166 176.158 174.990 0.004 0.000 1.260 211 C CA -0.812 58.221 59.018 0.025 0.000 1.966 211 C CB -0.169 27.584 27.740 0.022 0.000 2.380 211 C HN 1.060 nan 8.230 nan 0.000 0.535 212 N N 0.625 119.324 118.700 -0.001 0.000 2.714 212 N HA -0.152 4.589 4.740 0.000 0.000 0.252 212 N C 0.086 175.579 175.510 -0.028 0.000 1.014 212 N CA 0.513 53.556 53.050 -0.013 0.000 0.735 212 N CB -0.712 37.768 38.487 -0.012 0.000 0.924 212 N HN 1.029 nan 8.380 nan 0.000 0.540 213 A N 0.592 123.393 122.820 -0.032 0.000 2.586 213 A HA 0.408 4.728 4.320 0.000 0.000 0.231 213 A C 1.599 179.108 177.584 -0.124 0.000 1.055 213 A CA 0.632 52.641 52.037 -0.047 0.000 0.756 213 A CB -0.194 18.784 19.000 -0.037 0.000 0.988 213 A HN 1.648 nan 8.150 nan 0.000 0.509 214 A N 0.951 123.662 122.820 -0.182 0.000 2.832 214 A HA -0.005 4.315 4.320 0.000 0.000 0.280 214 A C 0.793 178.278 177.584 -0.165 0.000 1.464 214 A CA 1.837 53.625 52.037 -0.414 0.000 0.804 214 A CB -2.476 15.978 19.000 -0.911 0.000 1.020 214 A HN 2.830 nan 8.150 nan 0.000 0.563 215 T N -5.357 109.160 114.554 -0.061 0.000 2.901 215 T HA 0.733 5.083 4.350 0.000 0.000 0.293 215 T C -1.821 172.874 174.700 -0.009 0.000 1.084 215 T CA -1.117 60.965 62.100 -0.029 0.000 1.008 215 T CB 1.965 70.813 68.868 -0.032 0.000 1.170 215 T HN -0.099 nan 8.240 nan 0.000 0.509 216 P HA -0.062 nan 4.420 nan 0.000 0.222 216 P C 1.262 178.554 177.300 -0.014 0.000 1.147 216 P CA 0.818 63.914 63.100 -0.007 0.000 0.790 216 P CB 0.081 31.778 31.700 -0.005 0.000 0.780 217 Q N -0.327 119.463 119.800 -0.016 0.000 2.280 217 Q HA 0.015 4.355 4.340 0.000 0.000 0.201 217 Q C 0.624 176.614 176.000 -0.017 0.000 0.890 217 Q CA -0.030 55.763 55.803 -0.017 0.000 0.947 217 Q CB -0.467 28.262 28.738 -0.016 0.000 1.081 217 Q HN 0.364 nan 8.270 nan 0.000 0.502 218 Q N 1.329 121.118 119.800 -0.018 0.000 2.398 218 Q HA 0.202 4.542 4.340 0.000 0.000 0.329 218 Q C -1.108 174.881 176.000 -0.018 0.000 1.079 218 Q CA 0.461 56.253 55.803 -0.017 0.000 1.041 218 Q CB 0.365 29.093 28.738 -0.017 0.000 1.084 218 Q HN 0.368 nan 8.270 nan 0.000 0.386 219 A N 4.030 126.844 122.820 -0.010 0.000 2.401 219 A HA 0.714 5.034 4.320 0.000 0.000 0.310 219 A C -1.374 176.214 177.584 0.006 0.000 1.075 219 A CA -0.674 51.358 52.037 -0.009 0.000 0.746 219 A CB 2.045 21.037 19.000 -0.013 0.000 1.277 219 A HN 0.538 nan 8.150 nan 0.000 0.425 220 V N 2.778 122.696 119.914 0.007 0.000 2.577 220 V HA 0.436 4.556 4.120 0.000 0.000 0.303 220 V C -0.687 175.429 176.094 0.036 0.000 1.042 220 V CA -0.456 61.861 62.300 0.029 0.000 0.872 220 V CB 1.659 33.489 31.823 0.012 0.000 0.998 220 V HN 0.821 nan 8.190 nan 0.000 0.423 221 L N 4.413 125.686 121.223 0.083 0.000 2.305 221 L HA 0.615 4.955 4.340 0.000 0.000 0.284 221 L C -0.116 176.836 176.870 0.137 0.000 1.013 221 L CA -0.294 54.595 54.840 0.082 0.000 0.819 221 L CB 1.668 43.749 42.059 0.037 0.000 1.227 221 L HN 0.735 nan 8.230 nan 0.000 0.417 222 E N 3.055 123.303 120.200 0.079 0.000 2.227 222 E HA 0.393 4.743 4.350 0.000 0.000 0.282 222 E C -0.589 176.058 176.600 0.079 0.000 1.015 222 E CA -0.137 56.307 56.400 0.074 0.000 0.823 222 E CB 2.347 32.069 29.700 0.036 0.000 1.081 222 E HN 0.578 nan 8.360 nan 0.000 0.396 223 T N 1.015 115.626 114.554 0.095 0.000 2.611 223 T HA 0.356 4.706 4.350 0.000 0.000 0.269 223 T C -1.114 173.625 174.700 0.065 0.000 1.032 223 T CA -0.237 61.915 62.100 0.087 0.000 1.178 223 T CB 1.720 70.669 68.868 0.135 0.000 1.651 223 T HN 0.338 nan 8.240 nan 0.000 0.456 224 T N 0.706 115.299 114.554 0.066 0.000 2.883 224 T HA 0.558 4.908 4.350 0.000 0.000 0.301 224 T C 1.105 175.830 174.700 0.042 0.000 1.158 224 T CA -0.578 61.545 62.100 0.038 0.000 1.007 224 T CB 1.462 70.346 68.868 0.026 0.000 1.186 224 T HN 0.473 nan 8.240 nan 0.000 0.499 225 L N 1.521 122.755 121.223 0.019 0.000 2.012 225 L HA -0.087 4.253 4.340 0.000 0.000 0.210 225 L C 2.825 179.704 176.870 0.014 0.000 1.073 225 L CA 1.866 56.712 54.840 0.010 0.000 0.748 225 L CB -0.517 41.537 42.059 -0.008 0.000 0.891 225 L HN 0.837 nan 8.230 nan 0.000 0.431 226 A N 0.004 122.830 122.820 0.009 0.000 1.933 226 A HA -0.187 4.134 4.320 0.000 0.000 0.218 226 A C 2.244 179.834 177.584 0.010 0.000 1.175 226 A CA 1.514 53.553 52.037 0.004 0.000 0.628 226 A CB -0.361 18.639 19.000 0.001 0.000 0.814 226 A HN 0.407 nan 8.150 nan 0.000 0.444 227 R N -0.919 119.593 120.500 0.021 0.000 2.312 227 R HA 0.329 4.669 4.340 0.000 0.000 0.205 227 R C 2.193 178.514 176.300 0.034 0.000 0.904 227 R CA 0.522 56.633 56.100 0.019 0.000 1.052 227 R CB -0.202 30.108 30.300 0.015 0.000 1.014 227 R HN 0.445 nan 8.270 nan 0.000 0.503 228 A N 2.194 125.062 122.820 0.080 0.000 1.881 228 A HA -0.322 3.998 4.320 0.000 0.000 0.219 228 A C 2.082 179.716 177.584 0.083 0.000 1.215 228 A CA 2.069 54.212 52.037 0.176 0.000 0.648 228 A CB -0.548 18.594 19.000 0.237 0.000 0.832 228 A HN 0.461 nan 8.150 nan 0.000 0.455 229 E N -0.429 119.802 120.200 0.053 0.000 2.051 229 E HA -0.121 4.229 4.350 0.000 0.000 0.192 229 E C 2.165 178.736 176.600 -0.047 0.000 0.991 229 E CA 1.202 57.604 56.400 0.003 0.000 0.799 229 E CB -0.304 29.399 29.700 0.004 0.000 0.748 229 E HN 0.543 nan 8.360 nan 0.000 0.449 230 A N 1.260 124.058 122.820 -0.037 0.000 1.877 230 A HA -0.202 4.118 4.320 0.000 0.000 0.216 230 A C 1.849 179.388 177.584 -0.075 0.000 1.186 230 A CA 1.855 53.863 52.037 -0.048 0.000 0.620 230 A CB -0.569 18.412 19.000 -0.032 0.000 0.822 230 A HN 0.291 nan 8.150 nan 0.000 0.443 231 D N -0.144 120.210 120.400 -0.078 0.000 2.117 231 D HA -0.104 4.536 4.640 0.000 0.000 0.197 231 D C 2.105 178.287 176.300 -0.197 0.000 0.987 231 D CA 1.499 55.436 54.000 -0.105 0.000 0.829 231 D CB -0.506 40.253 40.800 -0.068 0.000 0.961 231 D HN 0.236 nan 8.370 nan 0.000 0.460 232 V N 1.442 121.164 119.914 -0.319 0.000 2.287 232 V HA -0.252 3.868 4.120 0.000 0.000 0.248 232 V C 2.551 178.483 176.094 -0.269 0.000 1.053 232 V CA 1.908 63.918 62.300 -0.482 0.000 1.027 232 V CB -1.020 30.415 31.823 -0.647 0.000 0.646 232 V HN 0.188 nan 8.190 nan 0.000 0.447 233 A N 0.191 122.901 122.820 -0.183 0.000 1.877 233 A HA -0.080 4.240 4.320 0.000 0.000 0.216 233 A C 2.452 179.974 177.584 -0.104 0.000 1.186 233 A CA 2.135 54.098 52.037 -0.124 0.000 0.620 233 A CB -0.896 18.051 19.000 -0.089 0.000 0.822 233 A HN 0.595 nan 8.150 nan 0.000 0.443 234 A N -0.198 122.563 122.820 -0.098 0.000 1.908 234 A HA 0.135 4.455 4.320 0.000 0.000 0.218 234 A C 2.420 179.957 177.584 -0.079 0.000 1.181 234 A CA 2.112 54.104 52.037 -0.076 0.000 0.627 234 A CB -0.894 18.067 19.000 -0.066 0.000 0.818 234 A HN 1.108 nan 8.150 nan 0.000 0.445 235 A N -1.954 120.803 122.820 -0.105 0.000 2.119 235 A HA 0.368 4.688 4.320 0.000 0.000 0.216 235 A C 1.963 179.493 177.584 -0.090 0.000 1.152 235 A CA 1.390 53.369 52.037 -0.097 0.000 0.708 235 A CB -0.946 17.982 19.000 -0.120 0.000 0.805 235 A HN 1.967 nan 8.150 nan 0.000 0.460 236 G N -1.770 106.970 108.800 -0.099 0.000 2.147 236 G HA2 -0.175 3.785 3.960 0.000 0.000 0.244 236 G HA3 -0.175 3.785 3.960 0.000 0.000 0.244 236 G C -0.081 174.769 174.900 -0.083 0.000 1.005 236 G CA 0.223 45.275 45.100 -0.080 0.000 0.713 236 G HN 0.339 nan 8.290 nan 0.000 0.515 237 L N 0.411 121.565 121.223 -0.116 0.000 2.467 237 L HA 0.599 4.939 4.340 0.000 0.000 0.270 237 L C 0.788 177.608 176.870 -0.082 0.000 1.205 237 L CA 0.361 55.139 54.840 -0.104 0.000 0.828 237 L CB 0.661 42.627 42.059 -0.156 0.000 1.101 237 L HN 0.400 nan 8.230 nan 0.000 0.479 238 E N 1.839 122.013 120.200 -0.044 0.000 2.408 238 E HA 0.428 4.778 4.350 0.000 0.000 0.275 238 E C -2.450 174.152 176.600 0.003 0.000 0.935 238 E CA -1.865 54.521 56.400 -0.024 0.000 0.775 238 E CB 1.785 31.473 29.700 -0.021 0.000 1.277 238 E HN 0.351 nan 8.360 nan 0.000 0.455 239 P HA 0.070 nan 4.420 nan 0.000 0.269 239 P C -2.433 174.884 177.300 0.029 0.000 1.217 239 P CA -0.740 62.379 63.100 0.033 0.000 0.783 239 P CB -0.193 31.529 31.700 0.038 0.000 0.898 240 P HA 0.411 nan 4.420 nan 0.000 0.286 240 P C -1.425 175.895 177.300 0.034 0.000 1.269 240 P CA -0.219 62.908 63.100 0.046 0.000 0.787 240 P CB 1.084 32.815 31.700 0.052 0.000 0.920 241 A N 3.761 126.603 122.820 0.036 0.000 2.498 241 A HA 0.712 5.032 4.320 0.000 0.000 0.298 241 A C -0.892 176.666 177.584 -0.044 0.000 1.075 241 A CA -0.747 51.308 52.037 0.030 0.000 0.714 241 A CB 1.381 20.450 19.000 0.115 0.000 1.299 241 A HN 0.429 nan 8.150 nan 0.000 0.407 242 I N 1.809 122.318 120.570 -0.100 0.000 2.404 242 I HA 0.401 4.571 4.170 0.000 0.000 0.293 242 I C -0.633 175.350 176.117 -0.224 0.000 0.992 242 I CA -0.503 60.661 61.300 -0.227 0.000 1.149 242 I CB 1.597 39.424 38.000 -0.288 0.000 1.315 242 I HN 0.329 nan 8.210 nan 0.000 0.446 243 V N 6.937 126.676 119.914 -0.292 0.000 2.398 243 V HA 0.419 4.539 4.120 0.000 0.000 0.286 243 V C -0.104 175.794 176.094 -0.327 0.000 1.026 243 V CA -0.749 61.278 62.300 -0.455 0.000 0.868 243 V CB 2.304 33.795 31.823 -0.553 0.000 0.982 243 V HN 0.512 nan 8.190 nan 0.000 0.443 244 V N 6.621 126.355 119.914 -0.299 0.000 2.540 244 V HA 0.730 4.850 4.120 0.000 0.000 0.302 244 V C -0.660 175.336 176.094 -0.163 0.000 1.035 244 V CA -0.236 61.943 62.300 -0.201 0.000 0.873 244 V CB 2.189 33.916 31.823 -0.159 0.000 0.992 244 V HN 0.630 nan 8.190 nan 0.000 0.428 245 V N 6.342 126.191 119.914 -0.108 0.000 2.555 245 V HA 1.043 5.163 4.120 0.000 0.000 0.302 245 V C 0.585 176.661 176.094 -0.030 0.000 1.038 245 V CA 0.457 62.717 62.300 -0.067 0.000 0.887 245 V CB 0.886 32.684 31.823 -0.042 0.000 0.991 245 V HN 1.662 nan 8.190 nan 0.000 0.434 246 G N 3.339 112.129 108.800 -0.017 0.000 2.423 246 G HA2 -0.022 3.938 3.960 0.000 0.000 0.684 246 G HA3 -0.022 3.938 3.960 0.000 0.000 0.684 246 G C -0.028 174.873 174.900 0.002 0.000 1.309 246 G CA -0.360 44.742 45.100 0.003 0.000 0.950 246 G HN 0.499 nan 8.290 nan 0.000 0.587 247 E N -0.315 119.894 120.200 0.015 0.000 2.265 247 E HA -0.136 4.214 4.350 0.000 0.000 0.196 247 E C 2.908 179.504 176.600 -0.006 0.000 0.996 247 E CA 1.605 58.011 56.400 0.009 0.000 0.832 247 E CB -0.417 29.296 29.700 0.022 0.000 0.756 247 E HN 1.089 nan 8.360 nan 0.000 0.491 248 V N -1.051 118.863 119.914 -0.001 0.000 2.453 248 V HA -0.236 3.884 4.120 0.000 0.000 0.252 248 V C 2.403 178.482 176.094 -0.025 0.000 1.068 248 V CA 1.375 63.665 62.300 -0.016 0.000 1.070 248 V CB -1.292 30.539 31.823 0.012 0.000 0.664 248 V HN -0.002 nan 8.190 nan 0.000 0.461 249 V N 0.611 120.514 119.914 -0.019 0.000 2.317 249 V HA -0.313 3.807 4.120 0.000 0.000 0.251 249 V C 2.923 179.007 176.094 -0.017 0.000 1.065 249 V CA 2.667 64.955 62.300 -0.019 0.000 1.049 249 V CB -1.003 30.808 31.823 -0.021 0.000 0.651 249 V HN 0.534 nan 8.190 nan 0.000 0.450 250 R N -0.537 119.951 120.500 -0.020 0.000 2.249 250 R HA -0.083 4.257 4.340 0.000 0.000 0.230 250 R C 2.012 178.293 176.300 -0.032 0.000 1.121 250 R CA 1.002 57.089 56.100 -0.022 0.000 0.997 250 R CB -0.343 29.944 30.300 -0.021 0.000 0.867 250 R HN 0.485 nan 8.270 nan 0.000 0.465 251 L N -0.223 120.973 121.223 -0.045 0.000 2.418 251 L HA -0.010 4.330 4.340 0.000 0.000 0.218 251 L C 2.520 179.380 176.870 -0.017 0.000 1.125 251 L CA 0.447 55.255 54.840 -0.054 0.000 0.835 251 L CB -0.273 41.729 42.059 -0.096 0.000 0.953 251 L HN 0.108 nan 8.230 nan 0.000 0.454 252 R N 1.207 121.703 120.500 -0.006 0.000 2.096 252 R HA -0.178 4.162 4.340 0.000 0.000 0.235 252 R C 2.322 178.624 176.300 0.005 0.000 1.127 252 R CA 1.483 57.586 56.100 0.006 0.000 0.968 252 R CB -0.245 30.055 30.300 0.001 0.000 0.861 252 R HN 0.270 nan 8.270 nan 0.000 0.440 253 A N 0.696 123.515 122.820 -0.001 0.000 1.892 253 A HA -0.147 4.173 4.320 0.000 0.000 0.218 253 A C 2.391 179.979 177.584 0.007 0.000 1.188 253 A CA 1.935 53.972 52.037 0.000 0.000 0.631 253 A CB -0.908 18.090 19.000 -0.002 0.000 0.822 253 A HN 0.587 nan 8.150 nan 0.000 0.447 254 A N -1.182 121.642 122.820 0.006 0.000 1.975 254 A HA 0.308 4.628 4.320 0.000 0.000 0.215 254 A C 1.748 179.353 177.584 0.036 0.000 1.170 254 A CA 1.009 53.055 52.037 0.014 0.000 0.656 254 A CB -0.223 18.778 19.000 0.002 0.000 0.821 254 A HN 0.424 nan 8.150 nan 0.000 0.449 255 L N -0.033 121.218 121.223 0.047 0.000 2.769 255 L HA 0.148 4.488 4.340 0.000 0.000 0.240 255 L C 0.005 176.973 176.870 0.163 0.000 1.163 255 L CA -0.170 54.730 54.840 0.101 0.000 0.962 255 L CB 0.146 42.261 42.059 0.092 0.000 1.258 255 L HN 0.165 nan 8.230 nan 0.000 0.513 256 D N 1.224 121.673 120.400 0.082 0.000 2.498 256 D HA -0.069 4.572 4.640 0.000 0.000 0.229 256 D C 1.248 177.552 176.300 0.007 0.000 1.188 256 D CA -0.329 53.675 54.000 0.007 0.000 1.028 256 D CB 0.245 41.024 40.800 -0.035 0.000 1.087 256 D HN 0.306 nan 8.370 nan 0.000 0.510 257 W N 2.538 123.811 121.300 -0.046 0.000 2.584 257 W HA -0.005 4.655 4.660 0.000 0.000 0.264 257 W C 0.895 177.377 176.519 -0.062 0.000 1.264 257 W CA -0.259 57.052 57.345 -0.057 0.000 1.306 257 W CB -0.723 28.691 29.460 -0.078 0.000 1.110 257 W HN 0.214 nan 8.180 nan 0.000 0.606 258 I N 2.038 122.112 120.570 -0.825 0.000 2.286 258 I HA 0.042 4.212 4.170 0.000 0.000 0.245 258 I C 2.139 178.095 176.117 -0.270 0.000 1.104 258 I CA 1.581 62.488 61.300 -0.656 0.000 1.397 258 I CB -0.701 36.828 38.000 -0.784 0.000 1.072 258 I HN -0.031 nan 8.210 nan 0.000 0.417 259 G N 0.636 109.313 108.800 -0.204 0.000 3.213 259 G HA2 0.481 4.441 3.960 0.000 0.000 0.263 259 G HA3 0.481 4.441 3.960 0.000 0.000 0.263 259 G C -0.121 174.748 174.900 -0.051 0.000 0.829 259 G CA 0.501 45.540 45.100 -0.101 0.000 1.983 259 G HN 0.456 nan 8.290 nan 0.000 0.616 260 A N 1.566 124.368 122.820 -0.031 0.000 1.709 260 A HA 0.363 4.683 4.320 0.000 0.000 0.237 260 A C 0.469 178.073 177.584 0.033 0.000 2.004 260 A CA -0.355 51.688 52.037 0.009 0.000 1.949 260 A CB -1.041 17.976 19.000 0.027 0.000 0.570 260 A HN 1.263 nan 8.150 nan 0.000 0.908 261 L N -0.259 120.979 121.223 0.025 0.000 4.263 261 L HA -0.140 4.201 4.340 0.000 0.000 0.393 261 L C -0.403 176.462 176.870 -0.008 0.000 1.123 261 L CA 0.776 55.620 54.840 0.006 0.000 0.981 261 L CB -1.764 40.289 42.059 -0.010 0.000 2.145 261 L HN 0.768 nan 8.230 nan 0.000 0.656 262 D N 0.582 120.982 120.400 -0.001 0.000 2.217 262 D HA 0.616 5.256 4.640 0.000 0.000 0.248 262 D C 0.640 176.943 176.300 0.004 0.000 1.008 262 D CA 0.328 54.327 54.000 -0.001 0.000 0.914 262 D CB 2.250 43.050 40.800 -0.001 0.000 1.182 262 D HN 0.148 nan 8.370 nan 0.000 0.451 263 G N 0.000 108.802 108.800 0.003 0.000 5.446 263 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 263 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 263 G CA 0.000 45.103 45.100 0.005 0.000 0.502 263 G HN 0.000 nan 8.290 nan 0.000 0.925